Oqmd Structure
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"created_at": "2022-09-04T15:26:15.537513Z", "updated_at": "2022-09-04T15:26:15.537525Z", "structure_string": "V1 Cu1 B1 Ir1\n1.0\n0.000000 2.869043 2.869043\n2.869043 0.000000 2.869043\n2.869043 2.869043 0.000000\nB Cu Ir V\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 B\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 V\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Cu", "Ir", "V" ], "chemical_system": "B-Cu-Ir-V", "density": 11.16279272679857, "density_atomic": 0.08468740467626475, "volume": 47.23252548936685, "volume_molar": 7.111022923681377, "formula_full": "V1 Cu1 B1 Ir1", "formula_reduced": "VCuBIr", "formula_anonymous": "ABCD", "formation_energy": 0.314249192499999, "spacegroup": 216 }, { "id": "oqmd-999188", "created_at": "2022-09-04T15:26:14.953150Z", "updated_at": "2022-09-04T15:26:14.953179Z", "structure_string": "V1 Cu1 B1 Ir1\n1.0\n0.000000 2.834837 2.834837\n2.834837 0.000000 2.834837\n2.834837 2.834837 0.000000\nB Cu Ir V\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 B\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500001 0.500001 V\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Cu", "Ir", "V" ], "chemical_system": "B-Cu-Ir-V", "density": 11.571768991915572, "density_atomic": 0.08779013526659472, "volume": 45.56320579588002, "volume_molar": 6.859700969490934, "formula_full": "V1 Cu1 B1 Ir1", "formula_reduced": "VCuBIr", "formula_anonymous": "ABCD", "formation_energy": 0.128609269999999, "spacegroup": 216 }, { "id": "oqmd-999187", "created_at": "2022-09-04T15:26:14.761478Z", "updated_at": "2022-09-04T15:26:14.761505Z", "structure_string": "V1 Co1 Cu1 B1\n1.0\n0.000000 2.733689 2.733689\n2.733689 0.000000 2.733689\n2.733689 2.733689 0.000000\nB Co Cu V\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Co\n0.749999 0.749999 0.749999 Cu\n0.249999 0.249999 0.249999 V\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Co", "Cu", "V" ], "chemical_system": "B-Co-Cu-V", "density": 7.487487905636752, "density_atomic": 0.09789999733134847, "volume": 40.858019499855125, "volume_molar": 6.151318615073809, "formula_full": "V1 Co1 Cu1 B1", "formula_reduced": "VCoCuB", "formula_anonymous": "ABCD", "formation_energy": 0.1753069, "spacegroup": 216 }, { "id": "oqmd-999186", "created_at": "2022-09-04T15:26:16.707173Z", "updated_at": "2022-09-04T15:26:16.707208Z", "structure_string": "V1 Co1 Cu1 B1\n1.0\n0.000000 2.724171 2.724171\n2.724171 0.000000 2.724171\n2.724171 2.724171 0.000000\nB Co Cu V\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 B\n0.000000 0.000000 0.000000 Co\n0.750001 0.750001 0.750001 Cu\n0.500000 0.500000 0.500000 V\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Co", "Cu", "V" ], "chemical_system": "B-Co-Cu-V", "density": 7.566244191127766, "density_atomic": 0.09892974726037243, "volume": 40.43273242650091, "volume_molar": 6.0872901495951215, "formula_full": "V1 Co1 Cu1 B1", "formula_reduced": "VCoCuB", 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"2022-09-04T15:26:14.450317Z", "updated_at": "2022-09-04T15:26:14.450341Z", "structure_string": "Cr1 Fe1 Cu1 B1\n1.0\n0.000000 2.698917 2.698917\n2.698917 0.000000 2.698917\n2.698917 2.698917 0.000000\nB Cr Cu Fe\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 B\n0.000000 0.000000 0.000000 Cr\n0.750001 0.750001 0.750001 Cu\n0.500001 0.500001 0.500001 Fe\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Cr", "Cu", "Fe" ], "chemical_system": "B-Cr-Cu-Fe", "density": 7.694747247176933, "density_atomic": 0.10173289633895352, "volume": 39.31864857826131, "volume_molar": 5.919560905781588, "formula_full": "Cr1 Fe1 Cu1 B1", "formula_reduced": "CrFeCuB", "formula_anonymous": "ABCD", "formation_energy": 0.396827647499999, "spacegroup": 216 }, { "id": "oqmd-999179", "created_at": "2022-09-04T15:26:14.169080Z", "updated_at": "2022-09-04T15:26:14.169101Z", "structure_string": "Fe1 Cu1 B1 Mo1\n1.0\n0.000000 2.820616 2.820616\n2.820616 0.000000 2.820616\n2.820616 2.820616 0.000000\nB Cu Fe Mo\n1 1 1 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