colabfit/HEA25S_high_entropy_alloys · Datasets at Hugging Face

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2024-02-14T16:56:38

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[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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2024-08-16T14:59:34

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[ "DS_d5zht3ykr8hi_0" ]

2024-02-14T16:56:38

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[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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[ "DS_hvx1spm3gmia_0", "DS_d5zht3ykr8hi_0" ]

2024-02-15T18:47:38

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[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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2024-08-16T14:12:34

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[ "data__dataset_O_bulk_random__bulk_random_train.xyz__3229", "data__data__dataset_O_bulk_random__bulk_random_train.xyz__3229", "bcc_class_2__14488" ]

[ "DS_hvx1spm3gmia_0", "DS_d5zht3ykr8hi_0" ]

2024-02-15T18:47:40

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HEA25S_high_entropy_alloys

[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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2024-02-14T16:56:36

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[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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2024-08-16T14:33:44

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2024-02-14T16:56:36

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HEA25S_high_entropy_alloys

[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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2024-08-16T14:30:48

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2024-02-14T16:56:37

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[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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2024-08-16T15:19:51

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[ "DS_d5zht3ykr8hi_0" ]

2024-02-14T16:56:38

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HEA25S_high_entropy_alloys

[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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[ "DS_hvx1spm3gmia_0", "DS_d5zht3ykr8hi_0" ]

2024-02-15T18:47:41

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HEA25S_high_entropy_alloys

[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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2024-08-16T15:27:07

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[ "DS_d5zht3ykr8hi_0" ]

2024-02-14T16:56:38

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HEA25S_high_entropy_alloys

[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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2024-02-15T18:47:40

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[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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[ "data__dataset_O_bulk_random__bulk_random_train.xyz__1495", "data__data__dataset_O_bulk_random__bulk_random_train.xyz__1495", "fcc_class_4__5463" ]

[ "DS_hvx1spm3gmia_0", "DS_d5zht3ykr8hi_0" ]

2024-02-15T18:47:40

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HEA25S_high_entropy_alloys

[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

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2024-02-15T18:47:41

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[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

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HEA25S_high_entropy_alloys

[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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2024-08-16T14:12:09

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[ "DS_hvx1spm3gmia_0", "DS_d5zht3ykr8hi_0" ]

2024-02-15T18:47:40

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[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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2024-08-16T15:11:57

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[ "DS_d5zht3ykr8hi_0" ]

2024-02-14T16:56:35

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HEA25S_high_entropy_alloys

[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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{'source-publication': 'http://doi.org/10.48550/arXiv.2310.07604', 'source-data': 'https://doi.org/10.24435/materialscloud:ps-20', 'other': None}

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2024-08-16T15:11:57

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[ "DS_hvx1spm3gmia_0", "DS_d5zht3ykr8hi_0" ]

2024-02-15T18:47:39

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HEA25S_high_entropy_alloys

[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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2024-08-16T15:24:42

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[ "DS_d5zht3ykr8hi_0" ]

2024-02-14T16:56:38

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HEA25S_high_entropy_alloys

[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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2024-02-15T18:47:39

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[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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2024-08-16T14:14:44

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[ "DS_d5zht3ykr8hi_0" ]

2024-02-14T16:56:38

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[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

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DFT-PBEsol

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null

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false

null

-310.238724

null

4.525306

19.487998

{"input": {"# VOSKOWN": "1", "ADDGRID": "True", "ALGO": "Fast", "EDIFF": "1E-6", "ENCUT": "550", "GGA": "PS", "ISMEAR": "1", "ISYM": "0", "KPAR": "2", "LASPH": "True", "LCHARG": "False", "LREAL": "Auto", "LWAVE": "False", "NCORE": "4", "NELM": "150", "PREC": "Accurate", "SIGMA": "0.2", "SYSTEM": "HEAs"}, "hash": "2028434825176984202026169204529447724932403233905864430302249223087952894877105464103570873470115916327177067050014941647248871491403806627395753723343272", "id": "MD_2028434825176984202026169"}

MD_2028434825176984202026169

2024-08-16T14:53:18

1684066629510224288937698771184766142464171898766053266502870133961147816612406587929147099109844272277357024517580021381888797254625206918867598723150747

PO_1684066629510224288937698

{"class": 3, "crystal": "fcc", "hea25s_name": 906, "hash": "9636301060502329077010851057843877999877710838974503348854625389501202778556360746224568170821454809518868028654280424142321140156816445663906236848419785", "id": "MD_9636301060502329077010851"}

MD_9636301060502329077010851

null

[ "data__dataset_O_bulk_random__bulk_random_train.xyz__906", "data__data__dataset_O_bulk_random__bulk_random_train.xyz__906", "fcc_class_3__11083" ]

[ "DS_hvx1spm3gmia_0", "DS_d5zht3ykr8hi_0" ]

2024-02-15T18:47:40

10064357781923185934219181520945476046427261906600435982914003589212948875232550970795950325950210011119988048562739661282409882554890425292216749704851136

CO_1006435778192318593421918

HEA25S_high_entropy_alloys

[ "Arslan Mazitov", "Maximilian A. Springer", "Nataliya Lopanitsyna", "Guillaume Fraux", "Sandip De", "Michele Ceriotti" ]

Dataset from "Surface segregation in high-entropy alloys from alchemical machine learning: dataset HEA25S". Includes 10000 bulk HEA structures (Dataset O), 2640 HEA surface slabs (Dataset A), together with 1000 bulk and 1000 surface slabs snapshots from the molecular dynamics (MD) runs (Datasets B and C), and 500 MD snapshots of the 25 elements Cantor-style alloy surface slabs. These splits, along with their respective train, test, and validation splits, are included as configuration sets.

[ "Au", "Fe", "Ir", "Mo", "Sc", "V", "Y", "Ag", "Co", "Cr", "Hf", "Ni", "Ta", "Ti", "Pd", "Rh", "Pt", "Nb", "Mn", "Cu", "Lu", "Zn", "Zr", "Ru", "W" ]

25

15,004

633,387

0

15,004

0

15,004

0

15,004

-313.060709

4,872.602517

0

2024-02-14T12:09:27

[ [ 1, 1, 1 ] ]

[ 3 ]

2024

[ 0.04008449810305548, 0.04389259646945706, 0.03884197181186226, 0.04043499471886856, 0.03589590566273068, 0.04038289387057202, 0.03657321669058569, 0.04126860829161318, 0.04489356428218451, 0.04387838714719437, 0.03749050738332173, 0.04420678037282104, 0.038152030275329304, 0.0372252667010848, 0.04213695576322217, 0.039544543857073164, 0.03934561334539547, 0.03944981504198855, 0.04225220915490845, 0.03980504809855586, 0.03471653191492721, 0.04258218119411987, 0.03803519807005827, 0.0404255218373601, 0.0384851599417102 ]

CC-BY-4.0

{'source-publication': 'http://doi.org/10.48550/arXiv.2310.07604', 'source-data': 'https://doi.org/10.24435/materialscloud:ps-20', 'other': None}

10.60732/3c5c6e72

1531224238351837595917790003632832388336903010423184799925261672816042014762799668659448795929494675059869049812025225729694629927055568879897679937231801

DS_d5zht3ykr8hi_0

HEA25S_high_entropy_alloys__Mazitov-Springer-Lopanitsyna-Fraux-De-Ceriotti__DS_d5zht3ykr8hi_0

Datasets:

colabfit
/

HEA25S_high_entropy_alloys

Dataset

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Number of unique molecular configurations

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Cite this dataset