Oqmd Structure
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"created_at": "2022-09-04T15:26:13.476600Z", "updated_at": "2022-09-04T15:26:13.476633Z", "structure_string": "Cu1 Re1 Bi1 As1\n1.0\n0.000000 3.327182 3.327182\n3.327182 0.000000 3.327182\n3.327182 3.327182 0.000000\nAs Bi Cu Re\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 As\n0.250000 0.250000 0.250000 Bi\n0.750001 0.750001 0.750001 Cu\n0.500000 0.500000 0.500000 Re\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Bi", "Cu", "Re" ], "chemical_system": "As-Bi-Cu-Re", "density": 12.029567437144603, "density_atomic": 0.05430006158543049, "volume": 73.66474149770134, "volume_molar": 11.090486058704268, "formula_full": "Cu1 Re1 Bi1 As1", "formula_reduced": "CuReBiAs", "formula_anonymous": "ABCD", "formation_energy": 1.04959113625, "spacegroup": 216 }, { "id": "oqmd-998843", "created_at": "2022-09-04T15:26:13.453139Z", "updated_at": "2022-09-04T15:26:13.453165Z", "structure_string": "Cu1 Re1 Bi1 As1\n1.0\n0.000000 3.286632 3.286632\n3.286632 0.000000 3.286632\n3.286632 3.286632 0.000000\nAs Bi Cu Re\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Bi\n0.749999 0.749999 0.749999 Cu\n0.249999 0.249999 0.249999 Re\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Bi", "Cu", "Re" ], "chemical_system": "As-Bi-Cu-Re", "density": 12.4803408477965, "density_atomic": 0.05633480008183668, "volume": 71.00406842998045, "volume_molar": 10.689912365450361, "formula_full": "Cu1 Re1 Bi1 As1", "formula_reduced": "CuReBiAs", "formula_anonymous": "ABCD", "formation_energy": 0.74219716375, "spacegroup": 216 }, { "id": "oqmd-998842", "created_at": "2022-09-04T15:26:14.082419Z", "updated_at": "2022-09-04T15:26:14.082438Z", "structure_string": "Cu1 Re1 Bi1 As1\n1.0\n0.000000 3.304642 3.304642\n3.304642 0.000000 3.304642\n3.304642 3.304642 0.000000\nAs Bi Cu Re\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 As\n0.000000 0.000000 0.000000 Bi\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Re\n", "nsites": 4, "nelements": 4, "elements": [ "As", 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