chemical_formula_hill
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string | chemical_formula_anonymous
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int32 | nsites
int32 | cell
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list | pbc
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string | energy
float64 | formation_energy
float64 | max_force_norm
float64 | mean_force_norm
float64 | property_object_metadata
string | property_object_metadata_id
string | property_object_last_modified
timestamp[ns] | property_object_hash
string | property_object_id
string | configuration_metadata
string | configuration_metadata_id
string | configuration_labels
list | configuration_names
list | configuration_dataset_ids
list | configuration_last_modified
timestamp[ns] | configuration_hash
string | configuration_id
string | dataset_name
string | dataset_authors
list | dataset_description
string | dataset_elements
list | dataset_nelements
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int64 | dataset_atomic_forces_count
int64 | dataset_atomization_energy_count
int64 | dataset_cauchy_stress_count
int64 | dataset_electronic_band_gap_count
int64 | dataset_energy_count
int64 | dataset_energy_mean
float64 | dataset_energy_variance
float64 | dataset_formation_energy_count
int64 | dataset_last_modified
timestamp[ns] | dataset_dimension_types
list | dataset_nperiodic_dimensions
list | dataset_publication_year
string | dataset_total_elements_ratios
list | dataset_license
string | dataset_links
string | dataset_doi
string | dataset_hash
string | dataset_id
string | dataset_extended_id
string |
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{"input": {"cutoff-energy": {"value": 300, "units": "Ry"}, "relative-cutoff-energy": {"value": 60, "units": "Ry"}, "scheme": "QUICKSTEP"}, "hash": "4178802015180711158523341789665647106270915003175636797223149523631617352424712633254110378226507537845096425680076758458702686284378534857806338422045244", "id": "MD_4178802015180711158523341"}
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MD_4178802015180711158523341
| 2024-08-16T14:55:58 |
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PO_5550043590416565539641080
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1125"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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|
CO_1011825803921809419542225
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C15Ti144
|
C5Ti48
|
A48B5
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_265"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_1014417122972963368800127
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
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1
]
] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C102Ti144
|
C17Ti24
|
A24B17
|
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CGM-MLP_natcomm2023_Ti-C_deposition
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[
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"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
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Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
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2024
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
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10.60732/4e8857ac
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DS_8frq3jczb0dt_0
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CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C29Ti144
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MD_4178802015180711158523341
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_390"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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|
CO_1030872392800336184360511
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C57Ti144
|
C19Ti48
|
A48B19
|
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_686"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1032276708880754204204803
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
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1
]
] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C52Ti144
|
C13Ti36
|
A36B13
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[
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[
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CO_1033857964542991751672745
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
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1
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] |
[
3
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2024
|
[
0.27399898319185323,
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C48Ti144
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CTi3
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_568"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_1038482707660933272668463
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C47Ti144
|
C47Ti144
|
A144B47
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_535"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_1040892528786911684434838
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
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2024
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[
0.27399898319185323,
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C17Ti144
|
C17Ti144
|
A144B17
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MD_4178802015180711158523341
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_277"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
10411697375696571175105153632087440961773854796684195363522310391683472782063086836374526600375600966664553608885845405696522605836691810126512875673382059
|
CO_1041169737569657117510515
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
12664052871829008670308412807702479762634432401396325426514382084783273842987956036413329734434257492339920682671966491264318791537423533526344183663319918
|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C98Ti144
|
C49Ti72
|
A72B49
|
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[
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[
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CO_1043582917632843680875451
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CGM-MLP_natcomm2023_Ti-C_deposition
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[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
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[
3
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2024
|
[
0.27399898319185323,
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C10Ti144
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C5Ti72
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_242"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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|
CO_1043784330410183864370139
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C12Ti144
|
CTi12
|
A12B
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[
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] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_1051005707281097645035841
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
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] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C96Ti144
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MD_4178802015180711158523341
| 2024-08-16T14:21:27 |
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1162"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
10540586662861103013169435484624257764113233611520857395814259177967242943663723205745273714562129700224636513706518728621331394417654861857373595533288200
|
CO_1054058666286110301316943
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C100Ti144
|
C25Ti36
|
A36B25
|
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MD_4178802015180711158523341
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PO_1052110342701023542087531
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1184"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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|
CO_1054642685790949793907806
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C66Ti144
|
C11Ti24
|
A24B11
|
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MD_4178802015180711158523341
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_788"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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|
CO_1056882184828557699503117
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C65Ti144
|
C65Ti144
|
A144B65
|
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_780"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1064239792193662293163687
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C91Ti144
|
C91Ti144
|
A144B91
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[
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CO_1066394854191616897768782
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CGM-MLP_natcomm2023_Ti-C_deposition
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[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
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Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
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2024
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
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10.60732/4e8857ac
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DS_8frq3jczb0dt_0
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CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C48Ti144
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_618"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_1076903123601634295197735
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C21Ti144
|
C7Ti48
|
A48B7
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[
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[
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CGM-MLP_natcomm2023_Ti-C_deposition
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[
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"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
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Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
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10.60732/4e8857ac
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DS_8frq3jczb0dt_0
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CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C53Ti144
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MD_4178802015180711158523341
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_645"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
10929684684838003635506054128455751505516564659208965364585633864004541377000213204234106424470638811831970078078895199869178599401856490688498888138331349
|
CO_1092968468483800363550605
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C60Ti144
|
C5Ti12
|
A12B5
|
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_747"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1099734546727698322600422
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C79Ti144
|
C79Ti144
|
A144B79
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_935"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_1106869668841535778586958
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
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1
]
] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C97Ti144
|
C97Ti144
|
A144B97
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MD_1404919777827893392269834
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[
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[
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CO_1107004919819845372717975
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
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[
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2024
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[
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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DS_8frq3jczb0dt_0
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CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C71Ti144
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C71Ti144
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_816"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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|
CO_1113516393805861069477882
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
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1
]
] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C85Ti144
|
C85Ti144
|
A144B85
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MD_4178802015180711158523341
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_916"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_1114896129429180026131045
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
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1
]
] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C13Ti144
|
C13Ti144
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A144B13
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{"input": {"cutoff-energy": {"value": 300, "units": "Ry"}, "relative-cutoff-energy": {"value": 60, "units": "Ry"}, "scheme": "QUICKSTEP"}, "hash": "4178802015180711158523341789665647106270915003175636797223149523631617352424712633254110378226507537845096425680076758458702686284378534857806338422045244", "id": "MD_4178802015180711158523341"}
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MD_4178802015180711158523341
| 2024-08-16T14:45:54 |
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PO_1557070232482807016517580
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_259"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_1116255221109608082914294
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
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MD_4178802015180711158523341
| 2024-08-16T14:39:05 |
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1050"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_1116393902946140667041646
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C30Ti144
|
C5Ti24
|
A24B5
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MD_4178802015180711158523341
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_397"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_1116571448156735026953746
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C97Ti144
|
C97Ti144
|
A144B97
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[
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] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_1118635696721668800106817
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
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1
]
] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C43Ti144
|
C43Ti144
|
A144B43
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MD_4178802015180711158523341
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[
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[
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] | 2024-01-12T23:00:30 |
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CO_1120060442123893421258824
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
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1
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] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C100Ti144
|
C25Ti36
|
A36B25
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1251"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_1122576648790549431068030
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
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1
]
] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C22Ti144
|
C11Ti72
|
A72B11
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_308"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_1125518241393004053898068
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
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1
]
] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C107Ti144
|
C107Ti144
|
A144B107
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[
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] |
[
"DS_8frq3jczb0dt_0"
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CO_1127398777473491145181441
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
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2024
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[
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
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10.60732/4e8857ac
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DS_8frq3jczb0dt_0
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CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C60Ti144
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{"input": {"cutoff-energy": {"value": 300, "units": "Ry"}, "relative-cutoff-energy": {"value": 60, "units": "Ry"}, "scheme": "QUICKSTEP"}, "hash": "4178802015180711158523341789665647106270915003175636797223149523631617352424712633254110378226507537845096425680076758458702686284378534857806338422045244", "id": "MD_4178802015180711158523341"}
|
MD_4178802015180711158523341
| 2024-08-16T15:24:18 |
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PO_9757541737352218136556972
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{"config_type": "default", "hash": "1404919777827893392269834943670411845301261407866846710153021606405314199411070807160658984221877463606755954368807568728599557946099287677348404211930695", "id": "MD_1404919777827893392269834"}
|
MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_699"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
11280742577973397251232499287798334742721761017560935269247572464398234353746779337823048026803010126518410859795374532703304814638366172481879499425168338
|
CO_1128074257797339725123249
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
12664052871829008670308412807702479762634432401396325426514382084783273842987956036413329734434257492339920682671966491264318791537423533526344183663319918
|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C105Ti144
|
C35Ti48
|
A48B35
|
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MD_4178802015180711158523341
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1222"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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|
CO_1130455283849116646134343
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C97Ti144
|
C97Ti144
|
A144B97
|
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{"input": {"cutoff-energy": {"value": 300, "units": "Ry"}, "relative-cutoff-energy": {"value": 60, "units": "Ry"}, "scheme": "QUICKSTEP"}, "hash": "4178802015180711158523341789665647106270915003175636797223149523631617352424712633254110378226507537845096425680076758458702686284378534857806338422045244", "id": "MD_4178802015180711158523341"}
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MD_4178802015180711158523341
| 2024-08-16T14:20:29 |
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PO_6425895541806025510849162
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1106"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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|
CO_1133960271756175177128399
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C104Ti144
|
C13Ti18
|
A18B13
|
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MD_4178802015180711158523341
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1218"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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|
CO_1136561976458648230422349
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C98Ti144
|
C49Ti72
|
A72B49
|
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MD_4178802015180711158523341
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1049"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
11366613629206949483672115285698468504992644910062309044555735963195953986642865619998457682893694126846635149851574820667782999825383617361181107284856665
|
CO_1136661362920694948367211
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C51Ti144
|
C17Ti48
|
A48B17
|
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[
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[
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CO_1140640076296848160191722
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CGM-MLP_natcomm2023_Ti-C_deposition
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[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
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3
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2024
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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DS_8frq3jczb0dt_0
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CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C2Ti144
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CTi72
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MD_4178802015180711158523341
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_6"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:27 |
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CO_1141227069464487868873835
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
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1
]
] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C9Ti144
|
CTi16
|
A16B
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[
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] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1147038015954265403889473
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
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1
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] |
[
3
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2024
|
[
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C74Ti144
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C37Ti72
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_837"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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|
CO_1151906158207829022982375
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C30Ti144
|
C5Ti24
|
A24B5
|
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CGM-MLP_natcomm2023_Ti-C_deposition
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[
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"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
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] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C6Ti144
|
CTi24
|
A24B
|
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[
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CO_1161279297519776112922141
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CGM-MLP_natcomm2023_Ti-C_deposition
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[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
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2024
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
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10.60732/4e8857ac
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DS_8frq3jczb0dt_0
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CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C22Ti144
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C11Ti72
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MD_4178802015180711158523341
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_328"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
11615298475352994242152132839398258287533568393135365254629530221206138627957495943461175688522759138005214199140037183397332386925329329933733194034066548
|
CO_1161529847535299424215213
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
12664052871829008670308412807702479762634432401396325426514382084783273842987956036413329734434257492339920682671966491264318791537423533526344183663319918
|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C83Ti144
|
C83Ti144
|
A144B83
|
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MD_4178802015180711158523341
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_968"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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|
CO_1161610212079447621379737
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C43Ti144
|
C43Ti144
|
A144B43
|
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] | 2024-01-12T23:00:30 |
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|
CO_1161781270744741209518835
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
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[
[
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1
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[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C76Ti144
|
C19Ti36
|
A36B19
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_856"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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|
CO_1166581926136075427627116
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
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1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C8Ti144
|
CTi18
|
A18B
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_133"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1170093713482550708282349
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
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1
]
] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C94Ti144
|
C47Ti72
|
A72B47
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[
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CO_1177959008576792981644890
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CGM-MLP_natcomm2023_Ti-C_deposition
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[
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"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C74Ti144
|
C37Ti72
|
A72B37
|
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_842"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
11844192300392373396664585124350923298899266298058805756087721171453153544340512209665712506267710881857334733406645826198252438172676725126823304823366054
|
CO_1184419230039237339666458
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C56Ti144
|
C7Ti18
|
A18B7
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_682"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1188613193126005546325960
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
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1
]
] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C11Ti144
|
C11Ti144
|
A144B11
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[
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] |
[
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] | 2024-01-12T23:00:28 |
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CO_1190503061643355792810212
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
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1
]
] |
[
3
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2024
|
[
0.27399898319185323,
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C92Ti144
|
C23Ti36
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MD_4178802015180711158523341
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PO_1077557840866041600447931
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1130"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
11925786822039264498392337653632855925065088929210991177807896532064798918899707585709851356152287355792971453899582133465462726188916043079091089415185653
|
CO_1192578682203926449839233
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
12664052871829008670308412807702479762634432401396325426514382084783273842987956036413329734434257492339920682671966491264318791537423533526344183663319918
|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C97Ti144
|
C97Ti144
|
A144B97
|
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1172"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_1193853839762656189882211
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C2Ti144
|
CTi72
|
A72B
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[
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] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1193980566924044003204726
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
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1
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] |
[
3
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2024
|
[
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C66Ti144
|
C11Ti24
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_784"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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|
CO_1199840151402241734539402
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C75Ti144
|
C25Ti48
|
A48B25
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_844"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1200027711882684173789565
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
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1
]
] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C60Ti144
|
C5Ti12
|
A12B5
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
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] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1201445971031233667514346
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C96Ti144
|
C2Ti3
|
A3B2
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{"input": {"cutoff-energy": {"value": 300, "units": "Ry"}, "relative-cutoff-energy": {"value": 60, "units": "Ry"}, "scheme": "QUICKSTEP"}, "hash": "4178802015180711158523341789665647106270915003175636797223149523631617352424712633254110378226507537845096425680076758458702686284378534857806338422045244", "id": "MD_4178802015180711158523341"}
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MD_4178802015180711158523341
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1160"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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|
CO_1204346013620788428340874
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C42Ti144
|
C7Ti24
|
A24B7
|
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_506"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_1205891335283139310682393
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C46Ti144
|
C23Ti72
|
A72B23
|
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[
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[
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CO_1207485153351648686496330
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
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1
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] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C55Ti144
|
C55Ti144
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A144B55
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MD_4178802015180711158523341
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_674"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
1207697935421406918708266327017305027084337935232765192182792728999231614371117393218998479671172614635970942132702291277620368693651327921864958597351676
|
CO_1207697935421406918708266
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
12664052871829008670308412807702479762634432401396325426514382084783273842987956036413329734434257492339920682671966491264318791537423533526344183663319918
|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C107Ti144
|
C107Ti144
|
A144B107
|
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MD_4178802015180711158523341
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1302"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:31 |
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|
CO_1210070649582586987808379
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C65Ti144
|
C65Ti144
|
A144B65
|
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[
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CGM-MLP_natcomm2023_Ti-C_deposition
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[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
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2024
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
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10.60732/4e8857ac
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DS_8frq3jczb0dt_0
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CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C25Ti144
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_367"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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|
CO_1210909097481726892808901
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C67Ti144
|
C67Ti144
|
A144B67
|
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_794"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1215873836838805620934326
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C92Ti144
|
C23Ti36
|
A36B23
|
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1062"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_1216930903052120314676319
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
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1
]
] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C66Ti144
|
C11Ti24
|
A24B11
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_786"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1231966327977863591714445
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C102Ti144
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C17Ti24
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A24B17
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{"input": {"cutoff-energy": {"value": 300, "units": "Ry"}, "relative-cutoff-energy": {"value": 60, "units": "Ry"}, "scheme": "QUICKSTEP"}, "hash": "4178802015180711158523341789665647106270915003175636797223149523631617352424712633254110378226507537845096425680076758458702686284378534857806338422045244", "id": "MD_4178802015180711158523341"}
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MD_4178802015180711158523341
| 2024-08-16T15:05:11 |
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PO_2433358004028284055869700
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1262"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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|
CO_1234911463196346333684062
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C2Ti144
|
CTi72
|
A72B
|
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[
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[
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CO_1241945409312562163552978
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CGM-MLP_natcomm2023_Ti-C_deposition
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[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
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2024
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[
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
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10.60732/4e8857ac
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DS_8frq3jczb0dt_0
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CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C51Ti144
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_586"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_1244459137639538533466037
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
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1
]
] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C20Ti144
|
C5Ti36
|
A36B5
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CGM-MLP_natcomm2023_Ti-C_deposition
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[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
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2024
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
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10.60732/4e8857ac
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DS_8frq3jczb0dt_0
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CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C7Ti144
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_57"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1248098512934061941229569
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C48Ti144
|
CTi3
|
A3B
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[
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] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_1249000184108360221062751
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
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1,
1,
1
]
] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
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{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
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10.60732/4e8857ac
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DS_8frq3jczb0dt_0
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CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C12Ti144
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CTi12
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_157"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1249451691963246320504092
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
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1
]
] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C44Ti144
|
C11Ti36
|
A36B11
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[
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] |
[
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] | 2024-01-12T23:00:30 |
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CO_1253316021465357924096045
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
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1
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] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C101Ti144
|
C101Ti144
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A144B101
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1195"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
12645523812161039762241628712548356682224221077824079879043130297296027869247305918068624473231882440191692899718098307725410687804069418382464140976662554
|
CO_1264552381216103976224162
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C47Ti144
|
C47Ti144
|
A144B47
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_610"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_1266477514083020577740520
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
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1
]
] |
[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C30Ti144
|
C5Ti24
|
A24B5
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CGM-MLP_natcomm2023_Ti-C_deposition
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[
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Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
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{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
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10.60732/4e8857ac
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DS_8frq3jczb0dt_0
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_35"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1272262883119535603113263
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
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[
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2024
|
[
0.27399898319185323,
0.7260010168081468
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C28Ti144
|
C7Ti36
|
A36B7
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MD_4178802015180711158523341
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_435"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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|
CO_1272546371818980798755700
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C65Ti144
|
C65Ti144
|
A144B65
|
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[
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[
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CO_1276299184424081530181119
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CGM-MLP_natcomm2023_Ti-C_deposition
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[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
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2024
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C9Ti144
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CTi16
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{"input": {"cutoff-energy": {"value": 300, "units": "Ry"}, "relative-cutoff-energy": {"value": 60, "units": "Ry"}, "scheme": "QUICKSTEP"}, "hash": "4178802015180711158523341789665647106270915003175636797223149523631617352424712633254110378226507537845096425680076758458702686284378534857806338422045244", "id": "MD_4178802015180711158523341"}
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MD_4178802015180711158523341
| 2024-08-16T14:24:13 |
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PO_8631345418813388133171051
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_188"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
12790716252695708619870503233599693094421836305314945086411045410460640011337667440173172860503228193298378497696517310943044873975419295470598203286079599
|
CO_1279071625269570861987050
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
12664052871829008670308412807702479762634432401396325426514382084783273842987956036413329734434257492339920682671966491264318791537423533526344183663319918
|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C103Ti144
|
C103Ti144
|
A144B103
|
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1276"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_1286759562069313583994699
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C103Ti144
|
C103Ti144
|
A144B103
|
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MD_4178802015180711158523341
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1270"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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|
CO_1293829052536171885217809
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C55Ti144
|
C55Ti144
|
A144B55
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_675"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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|
CO_1294352974423280480256340
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
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1
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[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C70Ti144
|
C35Ti72
|
A72B35
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MD_4178802015180711158523341
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_804"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
1295731864689694349655822083733949418848951291691037313618063692132532985601955688919136807077277471556975339057930611161011511747983794810306848429891788
|
CO_1295731864689694349655822
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C51Ti144
|
C17Ti48
|
A48B17
|
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MD_4178802015180711158523341
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_631"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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|
CO_1296077867549730761929535
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C63Ti144
|
C7Ti16
|
A16B7
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MD_4178802015180711158523341
| 2024-08-16T15:21:55 |
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PO_1247740423556180834039699
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_767"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1296506865313813223247102
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
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[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C31Ti144
|
C31Ti144
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A144B31
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_402"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_1297509811731075926931685
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C26Ti144
|
C13Ti72
|
A72B13
|
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[
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[
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CO_1302644826591058397217912
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CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
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{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
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10.60732/4e8857ac
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DS_8frq3jczb0dt_0
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CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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MD_4178802015180711158523341
| 2024-08-16T14:23:28 |
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_860"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
13087353242926957178014026120720870063389732581718628046631694699070903758105811710230358572566305144977831232155068924877528976232230474675204366345691258
|
CO_1308735324292695717801402
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C61Ti144
|
C61Ti144
|
A144B61
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_758"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1309460315034257720115738
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C76Ti144
|
C19Ti36
|
A36B19
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[
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[
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CO_1311892636660738262511626
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CGM-MLP_natcomm2023_Ti-C_deposition
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[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
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Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
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2024
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MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C31Ti144
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C31Ti144
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_403"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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|
CO_1312201543874595289373153
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C3Ti144
|
CTi48
|
A48B
|
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
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] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1317408831130191887771192
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
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1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C60Ti144
|
C5Ti12
|
A12B5
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MD_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_749"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1317978858333329177865187
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C43Ti144
|
C43Ti144
|
A144B43
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MD_4178802015180711158523341
| 2024-08-16T14:41:31 |
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PO_3507289139639857801993146
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|
MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_513"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_1319896490230973555594970
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
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[
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[
3
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2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
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|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C52Ti144
|
C13Ti36
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A36B13
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] | null |
[
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],
[
0.008182,
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],
[
-0.010413,
-0.000416,
-0.061945
]
] | true | null | null | -1,518.141075 | null | 1.433278 | 6.145645 |
{"input": {"cutoff-energy": {"value": 300, "units": "Ry"}, "relative-cutoff-energy": {"value": 60, "units": "Ry"}, "scheme": "QUICKSTEP"}, "hash": "4178802015180711158523341789665647106270915003175636797223149523631617352424712633254110378226507537845096425680076758458702686284378534857806338422045244", "id": "MD_4178802015180711158523341"}
|
MD_4178802015180711158523341
| 2024-08-16T14:58:52 |
10518918734819159566006173210891523804398842977238416175450890946309204111550173136139083391598298126022163721492571795675969098230627181316576682623141562
|
PO_1051891873481915956600617
|
{"config_type": "default", "hash": "1404919777827893392269834943670411845301261407866846710153021606405314199411070807160658984221877463606755954368807568728599557946099287677348404211930695", "id": "MD_1404919777827893392269834"}
|
MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_591"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
13266225709558998447795382894020885425965840055861754967765908118837613834658007006364922395393808864416252476525886720923194477280605419167392544280027756
|
CO_1326622570955899844779538
|
CGM-MLP_natcomm2023_Ti-C_deposition
|
[
"Di Zhang",
"Peiyun Yi",
"Xinmin Lai",
"Linfa Peng",
"Hao Li"
] |
Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Ti surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu, Cr and Ti surfaces.
|
[
"C",
"Ti"
] | 2 | 1,309 | 1,309 | 259,636 | 0 | 1,309 | 0 | 1,309 | 0 | 1,309 | -1,531.380198 | 130,134.622308 | 0 | 2024-01-12T18:01:51 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.27399898319185323,
0.7260010168081468
] |
MIT
|
{'source-publication': 'https://doi.org/10.1038/s41467-023-44525-z', 'source-data': 'https://github.com/sjtudizhang/CGM-MLP', 'other': None}
|
10.60732/4e8857ac
|
12664052871829008670308412807702479762634432401396325426514382084783273842987956036413329734434257492339920682671966491264318791537423533526344183663319918
|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
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