Oqmd Structure
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"created_at": "2022-09-04T15:26:17.279716Z", "updated_at": "2022-09-04T15:26:17.279753Z", "structure_string": "Ba1 Cr1 Co1 Cu1\n1.0\n-0.000034 3.414199 3.414199\n3.414199 -0.000034 3.414199\n3.414199 3.414199 -0.000034\nBa Co Cr Cu\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Co\n0.249998 0.249998 0.249998 Cr\n0.750000 0.750000 0.750000 Cu\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Co", "Cr", "Cu" ], "chemical_system": "Ba-Co-Cr-Cu", "density": 6.504672412616944, "density_atomic": 0.05025242406250417, "volume": 79.59815023101739, "volume_molar": 11.98378162317033, "formula_full": "Ba1 Cr1 Co1 Cu1", "formula_reduced": "BaCrCoCu", "formula_anonymous": "ABCD", "formation_energy": 1.026434655, "spacegroup": 216 }, { "id": "oqmd-999306", "created_at": "2022-09-04T15:26:16.940541Z", "updated_at": "2022-09-04T15:26:16.940566Z", "structure_string": "Ba1 Cr1 Co1 Cu1\n1.0\n0.000000 3.416168 3.416168\n3.416168 0.000000 3.416168\n3.416168 3.416168 0.000000\nBa Co Cr Cu\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.249999 0.249999 0.249999 Co\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Cu\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Co", "Cr", "Cu" ], "chemical_system": "Ba-Co-Cr-Cu", "density": 6.493528463601018, "density_atomic": 0.05016633049527195, "volume": 79.73475357893658, "volume_molar": 12.004347737906746, "formula_full": "Ba1 Cr1 Co1 Cu1", "formula_reduced": "BaCrCoCu", "formula_anonymous": "ABCD", "formation_energy": 0.893734495, "spacegroup": 216 }, { "id": "oqmd-999305", "created_at": "2022-09-04T15:26:16.646685Z", "updated_at": "2022-09-04T15:26:16.646710Z", "structure_string": "Ba1 Cr1 Co1 Cu1\n1.0\n0.000000 3.355427 3.355427\n3.355427 0.000000 3.355427\n3.355427 3.355427 0.000000\nBa Co Cr Cu\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 Ba\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Cu\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Co", "Cr", "Cu" ], "chemical_system": "Ba-Co-Cr-Cu", "density": 6.852594364644773, "density_atomic": 0.05294032598359762, "volume": 75.55676935648849, "volume_molar": 11.375337510890708, "formula_full": "Ba1 Cr1 Co1 Cu1", "formula_reduced": "BaCrCoCu", "formula_anonymous": "ABCD", "formation_energy": 1.00703521, "spacegroup": 216 }, { "id": "oqmd-999304", "created_at": "2022-09-04T15:26:15.449540Z", "updated_at": "2022-09-04T15:26:15.449552Z", "structure_string": "Ba1 Co1 Cu1 Mo1\n1.0\n0.000000 3.297221 3.297221\n3.297221 0.000000 3.297221\n3.297221 3.297221 0.000000\nBa Co Cu Mo\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Co\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Mo\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Co", "Cu", "Mo" ], "chemical_system": "Ba-Co-Cu-Mo", "density": 8.239771984678788, "density_atomic": 0.0557937849361264, "volume": 71.69257300932824, "volume_molar": 10.793569152718788, "formula_full": "Ba1 Co1 Cu1 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"2022-09-04T15:26:16.725626Z", "structure_string": "Ba1 Co1 Cu1 Mo1\n1.0\n0.000000 3.275341 3.275341\n3.275341 0.000000 3.275341\n3.275341 3.275341 0.000000\nBa Co Cu Mo\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Co\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Mo\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Co", "Cu", "Mo" ], "chemical_system": "Ba-Co-Cu-Mo", "density": 8.406008029512513, "density_atomic": 0.05691941537242138, "volume": 70.27479066375095, "volume_molar": 10.580117031416052, "formula_full": "Ba1 Co1 Cu1 Mo1", "formula_reduced": "BaCoCuMo", "formula_anonymous": "ABCD", "formation_energy": 1.2963991475, "spacegroup": 216 }, { "id": "oqmd-999301", "created_at": "2022-09-04T15:26:16.280222Z", "updated_at": "2022-09-04T15:26:16.280246Z", "structure_string": "Ba1 Cu1 Ir1 W1\n1.0\n0.000000 3.431740 3.431740\n3.431740 0.000000 3.431740\n3.431740 3.431740 0.000000\nBa Cu Ir W\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Ir\n0.500000 0.500000 0.500000 W\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Ir", "W" ], "chemical_system": "Ba-Cu-Ir-W", "density": 11.852203343507686, "density_atomic": 0.04948651439544611, "volume": 80.83010187454406, "volume_molar": 12.169256278341106, "formula_full": "Ba1 Cu1 Ir1 W1", "formula_reduced": "BaCuIrW", "formula_anonymous": "ABCD", "formation_energy": 1.106037245, "spacegroup": 216 }, { "id": "oqmd-999300", "created_at": "2022-09-04T15:26:15.804206Z", "updated_at": "2022-09-04T15:26:15.804239Z", "structure_string": "Ba1 Cu1 Ir1 W1\n1.0\n0.000000 3.338998 3.338998\n3.338998 0.000000 3.338998\n3.338998 3.338998 0.000000\nBa Cu Ir W\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.749999 0.749999 0.749999 Cu\n0.000000 0.000000 0.000000 Ir\n0.249999 0.249999 0.249999 W\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Ir", "W" ], "chemical_system": "Ba-Cu-Ir-W", "density": 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"Mg-Ni-Sm", "density": 7.507170081325737, "density_atomic": 0.07460161051771398, "volume": 160.85443620752164, "volume_molar": 8.072400472601133, "formula_full": "Sm1 Mg2 Ni9", "formula_reduced": "SmMg2Ni9", "formula_anonymous": "AB2C9", "formation_energy": -0.269632786319445, "spacegroup": 166 }, { "id": "oqmd-999299", "created_at": "2022-09-04T15:26:16.387492Z", "updated_at": "2022-09-04T15:26:16.387521Z", "structure_string": "Ba1 Cu1 Ir1 W1\n1.0\n0.000000 3.328380 3.328380\n3.328380 0.000000 3.328380\n3.328380 3.328380 0.000000\nBa Cu Ir W\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 W\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Ir", "W" ], "chemical_system": "Ba-Cu-Ir-W", "density": 12.991027834369772, "density_atomic": 0.05424144923140669, "volume": 73.74434231900895, "volume_molar": 11.102470242467419, "formula_full": "Ba1 Cu1 Ir1 W1", "formula_reduced": "BaCuIrW", "formula_anonymous": "ABCD", "formation_energy": 1.4065142775, "spacegroup": 216 }, { "id": "oqmd-999298", "created_at": "2022-09-04T15:26:15.866164Z", "updated_at": "2022-09-04T15:26:15.866184Z", "structure_string": "Ba1 Co1 Cu1 W1\n1.0\n0.000000 3.391996 3.391996\n3.391996 0.000000 3.391996\n3.391996 3.391996 0.000000\nBa Co Cu W\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.250000 0.250000 Co\n0.749999 0.749999 0.749999 Cu\n0.499999 0.499999 0.499999 W\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Co", "Cu", "W" ], "chemical_system": "Ba-Co-Cu-W", "density": 9.438215050268047, "density_atomic": 0.051246475426668985, "volume": 78.05414844038962, "volume_molar": 11.75132672024902, "formula_full": "Ba1 Co1 Cu1 W1", "formula_reduced": "BaCoCuW", "formula_anonymous": "ABCD", "formation_energy": 1.2536315875, "spacegroup": 216 } ] }{ "count": 1013513, "next": "