Oqmd Structure
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"oqmd-999402", "created_at": "2022-09-04T15:26:17.313954Z", "updated_at": "2022-09-04T15:26:17.313977Z", "structure_string": "Be1 Cr1 Co1 Cu1\n1.0\n0.000000 2.753285 2.753285\n2.753285 0.000000 2.753285\n2.753285 2.753285 0.000000\nBe Co Cr Cu\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Be\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Cu\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Co", "Cr", "Cu" ], "chemical_system": "Be-Co-Cr-Cu", "density": 7.299145563793789, "density_atomic": 0.09582448403949918, "volume": 41.742985001110846, "volume_molar": 6.284553285481457, "formula_full": "Be1 Cr1 Co1 Cu1", "formula_reduced": "BeCrCoCu", "formula_anonymous": "ABCD", "formation_energy": 0.117387555, "spacegroup": 216 }, { "id": "oqmd-999401", "created_at": "2022-09-04T15:26:15.737771Z", "updated_at": "2022-09-04T15:26:15.737792Z", "structure_string": "Be1 Cr1 Co1 Cu1\n1.0\n0.000000 2.798609 2.798609\n2.798609 0.000000 2.798609\n2.798609 2.798609 0.000000\nBe Co Cr Cu\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 Be\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Cr\n0.749999 0.749999 0.749999 Cu\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Co", "Cr", "Cu" ], "chemical_system": "Be-Co-Cr-Cu", "density": 6.950224796391889, "density_atomic": 0.09124379000966605, "volume": 43.838599860617954, "volume_molar": 6.600055477048943, "formula_full": "Be1 Cr1 Co1 Cu1", "formula_reduced": "BeCrCoCu", "formula_anonymous": "ABCD", "formation_energy": 0.243108939999999, "spacegroup": 216 }, { "id": "oqmd-999400", "created_at": "2022-09-04T15:26:16.702138Z", "updated_at": "2022-09-04T15:26:16.702160Z", "structure_string": "Be1 Co1 Cu1 Mo1\n1.0\n0.000000 2.837381 2.837381\n2.837381 0.000000 2.837381\n2.837381 2.837381 0.000000\nBe Co Cu Mo\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Co\n0.750000 0.750000 0.750000 Cu\n0.250002 0.250002 0.250002 Mo\n", "nsites": 4, "nelements": 4, 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Ni\n", "nsites": 12, "nelements": 3, "elements": [ "Gd", "Mg", "Ni" ], "chemical_system": "Gd-Mg-Ni", "density": 7.625642424142832, "density_atomic": 0.07506768213427804, "volume": 159.855741629732, "volume_molar": 8.022281478236982, "formula_full": "Gd1 Mg2 Ni9", "formula_reduced": "GdMg2Ni9", "formula_anonymous": "AB2C9", "formation_energy": -0.281885121319445, "spacegroup": 166 }, { "id": "oqmd-999399", "created_at": "2022-09-04T15:26:16.043371Z", "updated_at": "2022-09-04T15:26:16.043399Z", "structure_string": "Be1 Co1 Cu1 Mo1\n1.0\n0.000000 2.863092 2.863092\n2.863092 0.000000 2.863092\n2.863092 2.863092 0.000000\nBe Co Cu Mo\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Be\n0.249999 0.249999 0.249999 Co\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Mo\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Co", "Cu", "Mo" ], "chemical_system": "Be-Co-Cu-Mo", "density": 8.045695131847639, "density_atomic": 0.08521657697702341, "volume": 46.93922405588415, "volume_molar": 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