Oqmd Structure
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"created_at": "2022-09-04T15:26:13.814322Z", "updated_at": "2022-09-04T15:26:13.814355Z", "structure_string": "Y1 Cu1 As1 Rh1\n1.0\n0.000000 3.242589 3.242589\n3.242589 0.000000 3.242589\n3.242589 3.242589 0.000000\nAs Cu Rh Y\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 As\n0.749999 0.749999 0.749999 Cu\n0.500000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 Y\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Rh", "Y" ], "chemical_system": "As-Cu-Rh-Y", "density": 8.043115065136082, "density_atomic": 0.05866165081106715, "volume": 68.18764805789198, "volume_molar": 10.265890367449154, "formula_full": "Y1 Cu1 As1 Rh1", "formula_reduced": "YCuAsRh", "formula_anonymous": "ABCD", "formation_energy": -0.5213161775, "spacegroup": 216 }, { "id": "oqmd-998902", "created_at": "2022-09-04T15:26:14.341917Z", "updated_at": "2022-09-04T15:26:14.341945Z", "structure_string": "Cu1 B1 As1 Rh1\n1.0\n0.000000 2.941529 2.941529\n2.941529 0.000000 2.941529\n2.941529 2.941529 0.000000\nAs B Cu Rh\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 As\n0.250001 0.250001 0.250001 B\n0.750001 0.750001 0.750001 Cu\n0.500000 0.500000 0.500000 Rh\n", "nsites": 4, "nelements": 4, "elements": [ "As", "B", "Cu", "Rh" ], "chemical_system": "As-B-Cu-Rh", "density": 8.22654352600522, "density_atomic": 0.0785797409098997, "volume": 50.90370563306436, "volume_molar": 7.663732013197963, "formula_full": "Cu1 B1 As1 Rh1", "formula_reduced": "CuBAsRh", "formula_anonymous": "ABCD", "formation_energy": 0.645280931249999, "spacegroup": 216 }, { "id": "oqmd-998901", "created_at": "2022-09-04T15:26:13.627141Z", "updated_at": "2022-09-04T15:26:13.627164Z", "structure_string": "Cu1 B1 As1 Rh1\n1.0\n0.000000 2.923234 2.923234\n2.923234 0.000000 2.923234\n2.923234 2.923234 0.000000\nAs B Cu Rh\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 As\n0.000000 0.000000 0.000000 B\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Rh\n", "nsites": 4, "nelements": 4, "elements": [ "As", "B", "Cu", "Rh" ], 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0.250001 As\n0.000000 0.000000 0.000000 Cr\n0.750001 0.750001 0.750001 Cu\n0.500000 0.500000 0.500000 Te\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cr", "Cu", "Te" ], "chemical_system": "As-Cr-Cu-Te", "density": 6.936086675914744, "density_atomic": 0.052530471475184304, "volume": 76.14628020023812, "volume_molar": 11.464090442905874, "formula_full": "Cr1 Cu1 Te1 As1", "formula_reduced": "CrCuTeAs", "formula_anonymous": "ABCD", "formation_energy": 0.560605190416667, "spacegroup": 216 }, { "id": "oqmd-998896", "created_at": "2022-09-04T15:26:13.771788Z", "updated_at": "2022-09-04T15:26:13.771817Z", "structure_string": "Cu1 Te1 Mo1 As1\n1.0\n0.000000 3.276578 3.276578\n3.276578 0.000000 3.276578\n3.276578 3.276578 0.000000\nAs Cu Mo Te\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 As\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Mo\n0.500000 0.500000 0.500000 Te\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Mo", "Te" ], "chemical_system": 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