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float64 | mean_force_norm
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string | configuration_metadata
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string | configuration_labels
list | configuration_names
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list | configuration_last_modified
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string | dataset_name
string | dataset_authors
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string | dataset_elements
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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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[
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] |
[
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] | 2024-01-12T23:00:28 |
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CO_1328294914440713424164063
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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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] |
[
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
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C6Ti144
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CTi24
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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_117"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1328298708265283182785512
|
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
|
C20Ti144
|
C5Ti36
|
A36B5
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| 2024-08-16T14:40:32 |
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[
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] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_1331261153081427262694933
|
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
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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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C81Ti144
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C9Ti16
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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_954"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_1334798976688547792998672
|
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
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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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[
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[
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CO_1388184658920687094983407
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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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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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C61Ti144
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MD_4178802015180711158523341
| 2024-08-16T14:48:56 |
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_753"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
1395034210945895541856969318863331629160415106990023384121328668846186684407753814414768849659051048524053883129394913483255330248990283341635727443778243
|
CO_1395034210945895541856969
|
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
|
C51Ti144
|
C17Ti48
|
A48B17
|
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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_588"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_1582375424516565983167301
|
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
|
C31Ti144
|
C31Ti144
|
A144B31
|
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[
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[
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CO_1624484860496068429436149
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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 |
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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}
|
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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C96Ti144
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C2Ti3
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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_1030"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_1647172096859507402887924
|
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
|
C7Ti144
|
C7Ti144
|
A144B7
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MD_4178802015180711158523341
| 2024-08-16T15:39:35 |
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PO_9540139056180094538680396
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|
MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_172"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_1661008103679534072632032
|
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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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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C23Ti144
|
C23Ti144
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A144B23
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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_335"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_1718190476974700065843953
|
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
|
C50Ti144
|
C25Ti72
|
A72B25
|
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_580"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_1748940159217635750838026
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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
|
[
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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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C43Ti144
|
C43Ti144
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A144B43
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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_515"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_1793462604388496334298803
|
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
|
CTi144
|
CTi144
|
A144B
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[
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[
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CO_1807498034616973082732134
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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
|
C93Ti144
|
C31Ti48
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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_1139"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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|
CO_1812893555551965143860367
|
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
|
C84Ti144
|
C7Ti12
|
A12B7
|
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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
| 2024-08-16T15:23:32 |
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PO_1563731780499147380157723
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_912"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
186973206930290988205834950112675435944505260238659306991356677728667627160410930297439590402104988589274169827149179310575715665018068936308062981383304
|
CO_1869732069302909882058349
|
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
|
C101Ti144
|
C101Ti144
|
A144B101
|
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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_1190"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_1920934921272972070324333
|
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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[
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CO_1925203449141514911669772
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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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MD_4178802015180711158523341
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_76"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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|
CO_1934389496894398380048259
|
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
|
C106Ti144
|
C53Ti72
|
A72B53
|
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[
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] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_1940299731836461535779008
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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
|
C16Ti144
|
CTi9
|
A9B
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[
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[
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CO_1945446617582785335133162
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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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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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MD_4178802015180711158523341
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PO_5077707097361284214824939
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1201"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_1977452696103466599756150
|
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
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_875"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
2133977689566611082356447386988737340561925249008012121734875290045225692351269640593569499582564725068018451812126626398157286728045600285293993164060577
|
CO_2133977689566611082356447
|
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
|
C85Ti144
|
C85Ti144
|
A144B85
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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_987"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_2189739423080275391551144
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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
|
C8Ti144
|
CTi18
|
A18B
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[
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[
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] | 2024-01-12T23:00:28 |
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CO_2257670236898670497921543
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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
|
[
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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
|
C71Ti144
|
C71Ti144
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_814"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_2350324005045291620781395
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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
|
C17Ti144
|
C17Ti144
|
A144B17
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[
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[
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CO_2392144823887298330837907
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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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C8Ti144
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"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_181"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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|
CO_2428315823762165476776430
|
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}
|
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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C54Ti144
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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_670"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
2448127789536436663219052557306525738021093154702403946846995012087690768434254056201725620827138453307864986210434640768456734056915223676028085209842585
|
CO_2448127789536436663219052
|
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
|
C45Ti144
|
C5Ti16
|
A16B5
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[
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[
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CO_2471594117590506140012266
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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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[
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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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C26Ti144
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C13Ti72
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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_355"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_2505339435779543124264648
|
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
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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
|
C17Ti144
|
C17Ti144
|
A144B17
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MD_4178802015180711158523341
| 2024-08-16T14:22:46 |
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_278"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_2526903678372782181819844
|
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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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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C107Ti144
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] | true | null | null | -2,084.320566 | null | 1.614609 | 12.672216 |
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MD_4178802015180711158523341
| 2024-08-16T14:48:02 |
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PO_4070089465095575661793236
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1303"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:31 |
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|
CO_2584590368551136293446026
|
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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3
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2024
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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_4178802015180711158523341
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_426"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_2587638805169155128643680
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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
|
C6Ti144
|
CTi24
|
A24B
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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_2589089697985864109911014
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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
|
C102Ti144
|
C17Ti24
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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_1265"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
2593961779909119263178787944217573922920408148203960984221933740131344335057186980658353762773549865449216396184143385476705197814507815350462063759476589
|
CO_2593961779909119263178787
|
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
|
C102Ti144
|
C17Ti24
|
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
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1200"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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|
CO_2599222356157041518553997
|
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
|
C95Ti144
|
C95Ti144
|
A144B95
|
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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_1087"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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|
CO_2605933009440638187871803
|
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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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1159"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_2638086014963638634190272
|
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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CO_2681106479055023500554213
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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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C25Ti144
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C25Ti144
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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_417"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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|
CO_2703452049567193194641159
|
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
|
C53Ti144
|
C53Ti144
|
A144B53
|
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[
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] |
[
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CO_2840394156545024064856625
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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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] |
[
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
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C46Ti144
|
C23Ti72
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A72B23
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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
| 2024-08-16T15:33:31 |
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|
MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_556"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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|
CO_3049581091173048158935666
|
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
|
C105Ti144
|
C35Ti48
|
A48B35
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MD_4178802015180711158523341
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| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1290"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:31 |
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|
CO_3111483531043735866619142
|
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
|
C69Ti144
|
C23Ti48
|
A48B23
|
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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_803"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_3240067891872359006577800
|
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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CO_3251353191939342313537154
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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.
|
[
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"Ti"
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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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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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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_411"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_3259643935888882383385103
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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
|
C98Ti144
|
C49Ti72
|
A72B49
|
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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_1113"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_3270674481921132739032415
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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
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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
|
C104Ti144
|
C13Ti18
|
A18B13
|
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MD_4178802015180711158523341
| 2024-08-16T14:53:23 |
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PO_9789702563000239467627514
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|
MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1217"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_3283993104129345505034315
|
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
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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
|
C62Ti144
|
C31Ti72
|
A72B31
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MD_4178802015180711158523341
| 2024-08-16T14:30:13 |
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_761"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
3376189401504375308660927263935703600917193057738528642295435034701316148470216449936506211172469336266188220558902173515328255283805226437684753684529006
|
CO_3376189401504375308660927
|
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
|
C44Ti144
|
C11Ti36
|
A36B11
|
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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_497"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_3398390042037763232113906
|
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
|
C102Ti144
|
C17Ti24
|
A24B17
|
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[
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CO_3421434360907308045916848
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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
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C26Ti144
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C13Ti72
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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_424"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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|
CO_3473724189024919208353688
|
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
|
C64Ti144
|
C4Ti9
|
A9B4
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[
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] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_3544462197072258224585153
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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
|
C21Ti144
|
C7Ti48
|
A48B7
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[
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] |
[
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] | 2024-01-12T23:00:29 |
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CO_3552255680178658764224273
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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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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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C102Ti144
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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_1199"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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|
CO_3552257569270660899144102
|
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
|
C81Ti144
|
C9Ti16
|
A16B9
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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_950"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_3570131794642553700592053
|
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
|
C9Ti144
|
CTi16
|
A16B
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[
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] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_3583914671403813113673705
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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
|
C80Ti144
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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_944"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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|
CO_3744136305040114520797022
|
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
|
C44Ti144
|
C11Ti36
|
A36B11
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MD_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_500"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_3747614615394377346308100
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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
|
C95Ti144
|
C95Ti144
|
A144B95
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[
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[
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CO_3820779572606081621699094
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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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[
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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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C6Ti144
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CTi24
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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_169"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
38624677685730501688291147886685083289717653060805768013428328887751995318000161812815800286966201103980396657588868131183834377447240388538409321571096
|
CO_3862467768573050168829114
|
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
|
C91Ti144
|
C91Ti144
|
A144B91
|
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CO_3932606454268943276210067
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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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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_348"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_3996784538807003875044292
|
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
|
C20Ti144
|
C5Ti36
|
A36B5
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CO_4003106146691858057469147
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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
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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
|
12664052871829008670308412807702479762634432401396325426514382084783273842987956036413329734434257492339920682671966491264318791537423533526344183663319918
|
DS_8frq3jczb0dt_0
|
CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
|
C93Ti144
|
C31Ti48
|
A48B31
|
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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_1005"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_4040576509012390266538547
|
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
]
] |
[
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
|
C41Ti144
|
C41Ti144
|
A144B41
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_482"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_4053505965623822545018404
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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
|
C18Ti144
|
CTi8
|
A8B
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CGM-MLP_natcomm2023_Ti-C_deposition
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[
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"Linfa Peng",
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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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[
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CO_4144252590165712836115429
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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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C49Ti144
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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
| 2024-08-16T14:40:54 |
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PO_5608461298424114548387660
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_548"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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|
CO_4168860476873041536233909
|
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
|
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_1228"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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|
CO_4176836217542922503267419
|
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
|
C91Ti144
|
C91Ti144
|
A144B91
|
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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_1053"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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|
CO_4255802425429299970836538
|
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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CO_4263568450806948003913377
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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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[
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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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C10Ti144
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C5Ti72
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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_237"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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|
CO_4476152879080433376770395
|
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
|
C96Ti144
|
C2Ti3
|
A3B2
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1095"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_4477260300934514051313042
|
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
|
C82Ti144
|
C41Ti72
|
A72B41
|
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[
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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",
"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}
|
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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C30Ti144
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C5Ti24
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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_399"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
458273240895457287279189111265544719571802814015005104273400554407431574829134262990953500342221209732778295840475482306960520575409620082578508872019826
|
CO_4582732408954572872791891
|
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
|
C66Ti144
|
C11Ti24
|
A24B11
|
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_738"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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CO_4599274792718672201901919
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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
|
C62Ti144
|
C31Ti72
|
A72B31
|
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MD_4178802015180711158523341
| 2024-08-16T15:07:26 |
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_760"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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|
CO_4624618487546488792005143
|
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
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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_759"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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|
CO_4645352614118767642798327
|
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
|
C84Ti144
|
C7Ti12
|
A12B7
|
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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_914"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_4653990891478625389634383
|
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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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1165"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_4655257836979027410932548
|
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_4695616462635180560079646
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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"
] | 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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[
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
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C10Ti144
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C5Ti72
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_239"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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CO_4846920278532423023376264
|
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
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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
|
C19Ti144
|
C19Ti144
|
A144B19
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[
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CO_4934434070444366635920747
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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.
|
[
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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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C12Ti144
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[
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[
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CO_4935584605870235090363047
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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
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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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C48Ti144
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CTi3
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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_545"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_5053615352088146433527409
|
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
|
C12Ti144
|
CTi12
|
A12B
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MD_4178802015180711158523341
| 2024-08-16T15:35:25 |
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PO_1510124561288002455465819
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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_202"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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|
CO_5145745995999060972214863
|
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
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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
|
C103Ti144
|
C103Ti144
|
A144B103
|
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1212"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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|
CO_5150016207196372894165007
|
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
|
C42Ti144
|
C7Ti24
|
A24B7
|
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MD_4178802015180711158523341
| 2024-08-16T14:44:23 |
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_508"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
5169258419170968604763723558423500505162151652658773167716316101177755051532993346974832608749179048402591687430741385354664186781098478286278124002213029
|
CO_5169258419170968604763723
|
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
|
C104Ti144
|
C13Ti18
|
A18B13
|
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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_1279"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_5187799612523030396652817
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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
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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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[
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CO_5217995182119060837986010
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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"
] | 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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C63Ti144
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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_720"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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|
CO_5245594114857262107762316
|
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
|
C95Ti144
|
C95Ti144
|
A144B95
|
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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_1154"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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|
CO_5256331980778146422704276
|
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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MD_4178802015180711158523341
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MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1121"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:30 |
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CO_5384275431436819201346257
|
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
|
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_5426001734221801619953870
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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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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
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CGM-MLP_natcomm2023_Ti-C_deposition__Zhang-Yi-Lai-Peng-Li__DS_8frq3jczb0dt_0
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C82Ti144
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C41Ti72
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A72B41
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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_963"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
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|
CO_5476152135380101028063199
|
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
|
C81Ti144
|
C9Ti16
|
A16B9
|
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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_952"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
5481551175055737181485850924387848575639646288398766718887082169987606727457145044898059776552553453024921802276312984238420265096242905800125365474216053
|
CO_5481551175055737181485850
|
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_1404919777827893392269834
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[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_746"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:28 |
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|
CO_5525934629446359456516725
|
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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[
1.517124,
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],
[
-0.000971,
0.003289,
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]
] | null |
[
[
0.025539,
-0.00631,
-0.009914
],
[
-0.00631,
0.015641,
-0.007041
],
[
-0.009914,
-0.007041,
-0.039468
]
] | true | null | null | -1,920.467692 | null | 1.666554 | 9.34942 |
{"input": {"cutoff-energy": {"value": 300, "units": "Ry"}, "relative-cutoff-energy": {"value": 60, "units": "Ry"}, "scheme": "QUICKSTEP"}, "hash": "4178802015180711158523341789665647106270915003175636797223149523631617352424712633254110378226507537845096425680076758458702686284378534857806338422045244", "id": "MD_4178802015180711158523341"}
|
MD_4178802015180711158523341
| 2024-08-16T14:41:00 |
3623874435764574558471818938582323449006765879767581499261373826644683628551698667276998579884929856677912438578757705855356934668196473250960770105420170
|
PO_3623874435764574558471818
|
{"config_type": "default", "hash": "1404919777827893392269834943670411845301261407866846710153021606405314199411070807160658984221877463606755954368807568728599557946099287677348404211930695", "id": "MD_1404919777827893392269834"}
|
MD_1404919777827893392269834
| null |
[
"C_G_M_-_M_L_P_-_T_i_-_C_Training_Dataset_deposition__default_1061"
] |
[
"DS_8frq3jczb0dt_0"
] | 2024-01-12T23:00:29 |
5574223621383429808719787582119856607125083192586245829561379060354498657341031173556696643583763121483794025071520541368868203980597173030421135829324565
|
CO_5574223621383429808719787
|
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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