Dataset Viewer
chemical_formula_hill
string | chemical_formula_reduced
string | chemical_formula_anonymous
string | atomic_numbers
sequence | elements
sequence | elements_ratios
sequence | nelements
int32 | nsites
int32 | cell
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float64 | atomic_forces
sequence | atomization_energy
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sequence | cauchy_stress_volume_normalized
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string | energy
float64 | formation_energy
float64 | max_force_norm
float64 | mean_force_norm
float64 | property_object_metadata
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sequence | configuration_names
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Co36Cr36Ni36
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CoCrNi
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ABC
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{"input": {"basis-set": "projector-augmented wave", "k-point-grid": "3x3x3", "plane-wave-cutoff": "430 eV"}, "keys": {"atomic-forces": "fx, fy, fz", "cauchy-stress": "PlusStress", "energy": "Energy"}, "hash": "11223678811872224154582009318934106834313763088710160025924119049136233257308511894303324238552966556906272677225320299274435169359851910102539153465005217", "id": "MD_1122367881187222415458200"}
|
MD_1122367881187222415458200
| 2024-09-28T17:59:28 |
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|
PO_2033916316943836450005696
| null | null | null |
[
"Training_Cao_20220823__index__452"
] |
[
"DS_z2mkok0egrm8_0"
] | 2024-09-28T21:59:27 |
25978012648137136
|
CO_25978012648137136
|
CrCoNi_Cao_2022
|
[
"Yifan Cao",
"Killian Sheriff",
"Rodrigo Freitas"
] |
Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
[
"Co",
"Cr",
"Ni"
] | 3 | 1,257 | 1,257 | 108,684 | 0 | 1,257 | 0 | 1,257 | 0 | 1,257 | -595.097504 | 17,061.821822 | 0 | 2024-09-28T18:04:34 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
MIT
|
{'source-publication': 'https://arxiv.org/abs/2311.01545', 'source-data': 'https://github.com/yifan-henry-cao/MachineLearningPotential/blob/main/Training_datasets/Training_Cao_20220823.cfg', 'other': None}
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DS_z2mkok0egrm8_0
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CrCoNi_Cao_2022__Cao-Sheriff-Freitas__DS_z2mkok0egrm8_0
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CoCrNi
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{"input": {"basis-set": "projector-augmented wave", "k-point-grid": "3x3x3", "plane-wave-cutoff": "430 eV"}, "keys": {"atomic-forces": "fx, fy, fz", "cauchy-stress": "PlusStress", "energy": "Energy"}, "hash": "11223678811872224154582009318934106834313763088710160025924119049136233257308511894303324238552966556906272677225320299274435169359851910102539153465005217", "id": "MD_1122367881187222415458200"}
|
MD_1122367881187222415458200
| 2024-09-28T17:59:28 |
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PO_2038890498777194575218715
| null | null | null |
[
"Training_Cao_20220823__index__485"
] |
[
"DS_z2mkok0egrm8_0"
] | 2024-09-28T21:59:27 |
1269111216178559490
|
CO_1269111216178559490
|
CrCoNi_Cao_2022
|
[
"Yifan Cao",
"Killian Sheriff",
"Rodrigo Freitas"
] |
Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
[
"Co",
"Cr",
"Ni"
] | 3 | 1,257 | 1,257 | 108,684 | 0 | 1,257 | 0 | 1,257 | 0 | 1,257 | -595.097504 | 17,061.821822 | 0 | 2024-09-28T18:04:34 |
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MIT
|
{'source-publication': 'https://arxiv.org/abs/2311.01545', 'source-data': 'https://github.com/yifan-henry-cao/MachineLearningPotential/blob/main/Training_datasets/Training_Cao_20220823.cfg', 'other': None}
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DS_z2mkok0egrm8_0
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CrCoNi_Cao_2022__Cao-Sheriff-Freitas__DS_z2mkok0egrm8_0
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Co24Cr24Ni24
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CoCrNi
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ABC
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{"input": {"basis-set": "projector-augmented wave", "k-point-grid": "3x3x3", "plane-wave-cutoff": "430 eV"}, "keys": {"atomic-forces": "fx, fy, fz", "cauchy-stress": "PlusStress", "energy": "Energy"}, "hash": "11223678811872224154582009318934106834313763088710160025924119049136233257308511894303324238552966556906272677225320299274435169359851910102539153465005217", "id": "MD_1122367881187222415458200"}
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MD_1122367881187222415458200
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[
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1428410279404571940
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CO_1428410279404571940
|
CrCoNi_Cao_2022
|
[
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Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
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"Cr",
"Ni"
] | 3 | 1,257 | 1,257 | 108,684 | 0 | 1,257 | 0 | 1,257 | 0 | 1,257 | -595.097504 | 17,061.821822 | 0 | 2024-09-28T18:04:34 |
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MIT
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{'source-publication': 'https://arxiv.org/abs/2311.01545', 'source-data': 'https://github.com/yifan-henry-cao/MachineLearningPotential/blob/main/Training_datasets/Training_Cao_20220823.cfg', 'other': None}
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MD_1122367881187222415458200
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[
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883957535741593633
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CO_883957535741593633
|
CrCoNi_Cao_2022
|
[
"Yifan Cao",
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"Rodrigo Freitas"
] |
Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
[
"Co",
"Cr",
"Ni"
] | 3 | 1,257 | 1,257 | 108,684 | 0 | 1,257 | 0 | 1,257 | 0 | 1,257 | -595.097504 | 17,061.821822 | 0 | 2024-09-28T18:04:34 |
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MIT
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{'source-publication': 'https://arxiv.org/abs/2311.01545', 'source-data': 'https://github.com/yifan-henry-cao/MachineLearningPotential/blob/main/Training_datasets/Training_Cao_20220823.cfg', 'other': None}
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DS_z2mkok0egrm8_0
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{"input": {"basis-set": "projector-augmented wave", "k-point-grid": "3x3x3", "plane-wave-cutoff": "430 eV"}, "keys": {"atomic-forces": "fx, fy, fz", "cauchy-stress": "PlusStress", "energy": "Energy"}, "hash": "11223678811872224154582009318934106834313763088710160025924119049136233257308511894303324238552966556906272677225320299274435169359851910102539153465005217", "id": "MD_1122367881187222415458200"}
|
MD_1122367881187222415458200
| 2024-09-28T17:59:28 |
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PO_1222833669845189426863639
| null | null | null |
[
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[
"DS_z2mkok0egrm8_0"
] | 2024-09-28T21:59:28 |
1433803797383586023
|
CO_1433803797383586023
|
CrCoNi_Cao_2022
|
[
"Yifan Cao",
"Killian Sheriff",
"Rodrigo Freitas"
] |
Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
[
"Co",
"Cr",
"Ni"
] | 3 | 1,257 | 1,257 | 108,684 | 0 | 1,257 | 0 | 1,257 | 0 | 1,257 | -595.097504 | 17,061.821822 | 0 | 2024-09-28T18:04:34 |
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{'source-publication': 'https://arxiv.org/abs/2311.01545', 'source-data': 'https://github.com/yifan-henry-cao/MachineLearningPotential/blob/main/Training_datasets/Training_Cao_20220823.cfg', 'other': None}
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DS_z2mkok0egrm8_0
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CrCoNi_Cao_2022__Cao-Sheriff-Freitas__DS_z2mkok0egrm8_0
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CoCrNi
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{"input": {"basis-set": "projector-augmented wave", "k-point-grid": "3x3x3", "plane-wave-cutoff": "430 eV"}, "keys": {"atomic-forces": "fx, fy, fz", "cauchy-stress": "PlusStress", "energy": "Energy"}, "hash": "11223678811872224154582009318934106834313763088710160025924119049136233257308511894303324238552966556906272677225320299274435169359851910102539153465005217", "id": "MD_1122367881187222415458200"}
|
MD_1122367881187222415458200
| 2024-09-28T17:59:28 |
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PO_2805564659638004381162126
| null | null | null |
[
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[
"DS_z2mkok0egrm8_0"
] | 2024-09-28T21:59:27 |
1673508340507891800
|
CO_1673508340507891800
|
CrCoNi_Cao_2022
|
[
"Yifan Cao",
"Killian Sheriff",
"Rodrigo Freitas"
] |
Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
[
"Co",
"Cr",
"Ni"
] | 3 | 1,257 | 1,257 | 108,684 | 0 | 1,257 | 0 | 1,257 | 0 | 1,257 | -595.097504 | 17,061.821822 | 0 | 2024-09-28T18:04:34 |
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MIT
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{'source-publication': 'https://arxiv.org/abs/2311.01545', 'source-data': 'https://github.com/yifan-henry-cao/MachineLearningPotential/blob/main/Training_datasets/Training_Cao_20220823.cfg', 'other': None}
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DS_z2mkok0egrm8_0
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CrCoNi_Cao_2022__Cao-Sheriff-Freitas__DS_z2mkok0egrm8_0
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Co36Cr36Ni36
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CoCrNi
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{"input": {"basis-set": "projector-augmented wave", "k-point-grid": "3x3x3", "plane-wave-cutoff": "430 eV"}, "keys": {"atomic-forces": "fx, fy, fz", "cauchy-stress": "PlusStress", "energy": "Energy"}, "hash": "11223678811872224154582009318934106834313763088710160025924119049136233257308511894303324238552966556906272677225320299274435169359851910102539153465005217", "id": "MD_1122367881187222415458200"}
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MD_1122367881187222415458200
| 2024-09-28T17:59:28 |
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PO_3200072684245417080550310
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[
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[
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1443341370922334465
|
CO_1443341370922334465
|
CrCoNi_Cao_2022
|
[
"Yifan Cao",
"Killian Sheriff",
"Rodrigo Freitas"
] |
Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
[
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"Cr",
"Ni"
] | 3 | 1,257 | 1,257 | 108,684 | 0 | 1,257 | 0 | 1,257 | 0 | 1,257 | -595.097504 | 17,061.821822 | 0 | 2024-09-28T18:04:34 |
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MIT
|
{'source-publication': 'https://arxiv.org/abs/2311.01545', 'source-data': 'https://github.com/yifan-henry-cao/MachineLearningPotential/blob/main/Training_datasets/Training_Cao_20220823.cfg', 'other': None}
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DS_z2mkok0egrm8_0
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CrCoNi_Cao_2022__Cao-Sheriff-Freitas__DS_z2mkok0egrm8_0
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{"input": {"basis-set": "projector-augmented wave", "k-point-grid": "3x3x3", "plane-wave-cutoff": "430 eV"}, "keys": {"atomic-forces": "fx, fy, fz", "cauchy-stress": "PlusStress", "energy": "Energy"}, "hash": "11223678811872224154582009318934106834313763088710160025924119049136233257308511894303324238552966556906272677225320299274435169359851910102539153465005217", "id": "MD_1122367881187222415458200"}
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CO_397753589462983234
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CrCoNi_Cao_2022
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[
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Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
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{'source-publication': 'https://arxiv.org/abs/2311.01545', 'source-data': 'https://github.com/yifan-henry-cao/MachineLearningPotential/blob/main/Training_datasets/Training_Cao_20220823.cfg', 'other': None}
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{"input": {"basis-set": "projector-augmented wave", "k-point-grid": "3x3x3", "plane-wave-cutoff": "430 eV"}, "keys": {"atomic-forces": "fx, fy, fz", "cauchy-stress": "PlusStress", "energy": "Energy"}, "hash": "11223678811872224154582009318934106834313763088710160025924119049136233257308511894303324238552966556906272677225320299274435169359851910102539153465005217", "id": "MD_1122367881187222415458200"}
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MD_1122367881187222415458200
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[
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678567869474515492
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CO_678567869474515492
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CrCoNi_Cao_2022
|
[
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Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
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"Ni"
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{'source-publication': 'https://arxiv.org/abs/2311.01545', 'source-data': 'https://github.com/yifan-henry-cao/MachineLearningPotential/blob/main/Training_datasets/Training_Cao_20220823.cfg', 'other': None}
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{"input": {"basis-set": "projector-augmented wave", "k-point-grid": "3x3x3", "plane-wave-cutoff": "430 eV"}, "keys": {"atomic-forces": "fx, fy, fz", "cauchy-stress": "PlusStress", "energy": "Energy"}, "hash": "11223678811872224154582009318934106834313763088710160025924119049136233257308511894303324238552966556906272677225320299274435169359851910102539153465005217", "id": "MD_1122367881187222415458200"}
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MD_1122367881187222415458200
| 2024-09-28T17:59:29 |
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PO_4975637731714874119901799
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[
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[
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] | 2024-09-28T21:59:28 |
1072388095466102784
|
CO_1072388095466102784
|
CrCoNi_Cao_2022
|
[
"Yifan Cao",
"Killian Sheriff",
"Rodrigo Freitas"
] |
Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
[
"Co",
"Cr",
"Ni"
] | 3 | 1,257 | 1,257 | 108,684 | 0 | 1,257 | 0 | 1,257 | 0 | 1,257 | -595.097504 | 17,061.821822 | 0 | 2024-09-28T18:04:34 |
[
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[
3
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2024
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MIT
|
{'source-publication': 'https://arxiv.org/abs/2311.01545', 'source-data': 'https://github.com/yifan-henry-cao/MachineLearningPotential/blob/main/Training_datasets/Training_Cao_20220823.cfg', 'other': None}
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DS_z2mkok0egrm8_0
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CrCoNi_Cao_2022__Cao-Sheriff-Freitas__DS_z2mkok0egrm8_0
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Co36Cr36Ni36
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CoCrNi
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[
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CO_2154332182620103398
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CrCoNi_Cao_2022
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[
"Yifan Cao",
"Killian Sheriff",
"Rodrigo Freitas"
] |
Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
[
"Co",
"Cr",
"Ni"
] | 3 | 1,257 | 1,257 | 108,684 | 0 | 1,257 | 0 | 1,257 | 0 | 1,257 | -595.097504 | 17,061.821822 | 0 | 2024-09-28T18:04:34 |
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{"input": {"basis-set": "projector-augmented wave", "k-point-grid": "3x3x3", "plane-wave-cutoff": "430 eV"}, "keys": {"atomic-forces": "fx, fy, fz", "cauchy-stress": "PlusStress", "energy": "Energy"}, "hash": "11223678811872224154582009318934106834313763088710160025924119049136233257308511894303324238552966556906272677225320299274435169359851910102539153465005217", "id": "MD_1122367881187222415458200"}
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MD_1122367881187222415458200
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[
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1688464270255802778
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CO_1688464270255802778
|
CrCoNi_Cao_2022
|
[
"Yifan Cao",
"Killian Sheriff",
"Rodrigo Freitas"
] |
Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
[
"Co",
"Cr",
"Ni"
] | 3 | 1,257 | 1,257 | 108,684 | 0 | 1,257 | 0 | 1,257 | 0 | 1,257 | -595.097504 | 17,061.821822 | 0 | 2024-09-28T18:04:34 |
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DS_z2mkok0egrm8_0
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CrCoNi_Cao_2022__Cao-Sheriff-Freitas__DS_z2mkok0egrm8_0
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Co36Cr36Ni36
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CoCrNi
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{"input": {"basis-set": "projector-augmented wave", "k-point-grid": "3x3x3", "plane-wave-cutoff": "430 eV"}, "keys": {"atomic-forces": "fx, fy, fz", "cauchy-stress": "PlusStress", "energy": "Energy"}, "hash": "11223678811872224154582009318934106834313763088710160025924119049136233257308511894303324238552966556906272677225320299274435169359851910102539153465005217", "id": "MD_1122367881187222415458200"}
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MD_1122367881187222415458200
| 2024-09-28T17:59:28 |
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[
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55171927751531415
|
CO_55171927751531415
|
CrCoNi_Cao_2022
|
[
"Yifan Cao",
"Killian Sheriff",
"Rodrigo Freitas"
] |
Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
[
"Co",
"Cr",
"Ni"
] | 3 | 1,257 | 1,257 | 108,684 | 0 | 1,257 | 0 | 1,257 | 0 | 1,257 | -595.097504 | 17,061.821822 | 0 | 2024-09-28T18:04:34 |
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3
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2024
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MIT
|
{'source-publication': 'https://arxiv.org/abs/2311.01545', 'source-data': 'https://github.com/yifan-henry-cao/MachineLearningPotential/blob/main/Training_datasets/Training_Cao_20220823.cfg', 'other': None}
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DS_z2mkok0egrm8_0
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CO_744491640780394465
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CrCoNi_Cao_2022
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[
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Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
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CO_1771547635928592080
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CrCoNi_Cao_2022
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[
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"Rodrigo Freitas"
] |
Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
[
"Co",
"Cr",
"Ni"
] | 3 | 1,257 | 1,257 | 108,684 | 0 | 1,257 | 0 | 1,257 | 0 | 1,257 | -595.097504 | 17,061.821822 | 0 | 2024-09-28T18:04:34 |
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{"input": {"basis-set": "projector-augmented wave", "k-point-grid": "3x3x3", "plane-wave-cutoff": "430 eV"}, "keys": {"atomic-forces": "fx, fy, fz", "cauchy-stress": "PlusStress", "energy": "Energy"}, "hash": "11223678811872224154582009318934106834313763088710160025924119049136233257308511894303324238552966556906272677225320299274435169359851910102539153465005217", "id": "MD_1122367881187222415458200"}
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MD_1122367881187222415458200
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[
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925067311712103829
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CO_925067311712103829
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CrCoNi_Cao_2022
|
[
"Yifan Cao",
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"Rodrigo Freitas"
] |
Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
[
"Co",
"Cr",
"Ni"
] | 3 | 1,257 | 1,257 | 108,684 | 0 | 1,257 | 0 | 1,257 | 0 | 1,257 | -595.097504 | 17,061.821822 | 0 | 2024-09-28T18:04:34 |
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CrCoNi_Cao_2022__Cao-Sheriff-Freitas__DS_z2mkok0egrm8_0
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CO_2296633010403636611
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CrCoNi_Cao_2022
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[
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Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
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{"input": {"basis-set": "projector-augmented wave", "k-point-grid": "3x3x3", "plane-wave-cutoff": "430 eV"}, "keys": {"atomic-forces": "fx, fy, fz", "cauchy-stress": "PlusStress", "energy": "Energy"}, "hash": "11223678811872224154582009318934106834313763088710160025924119049136233257308511894303324238552966556906272677225320299274435169359851910102539153465005217", "id": "MD_1122367881187222415458200"}
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MD_1122367881187222415458200
| 2024-09-28T17:59:28 |
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[
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[
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768728022566691738
|
CO_768728022566691738
|
CrCoNi_Cao_2022
|
[
"Yifan Cao",
"Killian Sheriff",
"Rodrigo Freitas"
] |
Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
[
"Co",
"Cr",
"Ni"
] | 3 | 1,257 | 1,257 | 108,684 | 0 | 1,257 | 0 | 1,257 | 0 | 1,257 | -595.097504 | 17,061.821822 | 0 | 2024-09-28T18:04:34 |
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[
3
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2024
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MIT
|
{'source-publication': 'https://arxiv.org/abs/2311.01545', 'source-data': 'https://github.com/yifan-henry-cao/MachineLearningPotential/blob/main/Training_datasets/Training_Cao_20220823.cfg', 'other': None}
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DS_z2mkok0egrm8_0
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CrCoNi_Cao_2022__Cao-Sheriff-Freitas__DS_z2mkok0egrm8_0
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CO_168631863175964277
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CrCoNi_Cao_2022
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[
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"Rodrigo Freitas"
] |
Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
[
"Co",
"Cr",
"Ni"
] | 3 | 1,257 | 1,257 | 108,684 | 0 | 1,257 | 0 | 1,257 | 0 | 1,257 | -595.097504 | 17,061.821822 | 0 | 2024-09-28T18:04:34 |
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{"input": {"basis-set": "projector-augmented wave", "k-point-grid": "3x3x3", "plane-wave-cutoff": "430 eV"}, "keys": {"atomic-forces": "fx, fy, fz", "cauchy-stress": "PlusStress", "energy": "Energy"}, "hash": "11223678811872224154582009318934106834313763088710160025924119049136233257308511894303324238552966556906272677225320299274435169359851910102539153465005217", "id": "MD_1122367881187222415458200"}
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MD_1122367881187222415458200
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[
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2122553339420515295
|
CO_2122553339420515295
|
CrCoNi_Cao_2022
|
[
"Yifan Cao",
"Killian Sheriff",
"Rodrigo Freitas"
] |
Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
[
"Co",
"Cr",
"Ni"
] | 3 | 1,257 | 1,257 | 108,684 | 0 | 1,257 | 0 | 1,257 | 0 | 1,257 | -595.097504 | 17,061.821822 | 0 | 2024-09-28T18:04:34 |
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MIT
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DS_z2mkok0egrm8_0
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CrCoNi_Cao_2022__Cao-Sheriff-Freitas__DS_z2mkok0egrm8_0
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{"input": {"basis-set": "projector-augmented wave", "k-point-grid": "3x3x3", "plane-wave-cutoff": "430 eV"}, "keys": {"atomic-forces": "fx, fy, fz", "cauchy-stress": "PlusStress", "energy": "Energy"}, "hash": "11223678811872224154582009318934106834313763088710160025924119049136233257308511894303324238552966556906272677225320299274435169359851910102539153465005217", "id": "MD_1122367881187222415458200"}
|
MD_1122367881187222415458200
| 2024-09-28T17:59:29 |
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PO_5085241381703270085749592
| null | null | null |
[
"Training_Cao_20220823__index__1192"
] |
[
"DS_z2mkok0egrm8_0"
] | 2024-09-28T21:59:28 |
998964210033156631
|
CO_998964210033156631
|
CrCoNi_Cao_2022
|
[
"Yifan Cao",
"Killian Sheriff",
"Rodrigo Freitas"
] |
Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
|
[
"Co",
"Cr",
"Ni"
] | 3 | 1,257 | 1,257 | 108,684 | 0 | 1,257 | 0 | 1,257 | 0 | 1,257 | -595.097504 | 17,061.821822 | 0 | 2024-09-28T18:04:34 |
[
[
1,
1,
1
]
] |
[
3
] |
2024
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
MIT
|
{'source-publication': 'https://arxiv.org/abs/2311.01545', 'source-data': 'https://github.com/yifan-henry-cao/MachineLearningPotential/blob/main/Training_datasets/Training_Cao_20220823.cfg', 'other': None}
| null |
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|
DS_z2mkok0egrm8_0
|
CrCoNi_Cao_2022__Cao-Sheriff-Freitas__DS_z2mkok0egrm8_0
|
End of preview. Expand
in Data Studio
Dataset
CrCoNi Cao 2022
Description
Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
Additional details stored in dataset columns prepended with "dataset_".
Dataset authors
Yifan Cao, Killian Sheriff, Rodrigo Freitas
Publication
https://arxiv.org/abs/2311.01545
Original data link
License
MIT
Number of unique molecular configurations
1257
Number of atoms
108684
Elements included
Co, Cr, Ni
Properties included
energy, atomic forces, cauchy stress
Cite this dataset
Cao, Y., Sheriff, K., and Freitas, R. CrCoNi Cao 2022. ColabFit, 2024. https://doi.org/10.60732/76208b62
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