Oqmd Structure
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"created_at": "2022-09-04T15:26:15.912990Z", "updated_at": "2022-09-04T15:26:15.913020Z", "structure_string": "Ta1 Be1 Cu1 Ni1\n1.0\n0.000000 2.894191 2.894191\n2.894191 0.000000 2.894191\n2.894191 2.894191 0.000000\nBe Cu Ni Ta\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.749999 0.749999 0.749999 Cu\n0.500000 0.500000 0.500000 Ni\n0.249999 0.249999 0.249999 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Ni", "Ta" ], "chemical_system": "Be-Cu-Ni-Ta", "density": 10.692264316016539, "density_atomic": 0.08249895161757666, "volume": 48.48546462192603, "volume_molar": 7.299657319180969, "formula_full": "Ta1 Be1 Cu1 Ni1", "formula_reduced": "TaBeCuNi", "formula_anonymous": "ABCD", "formation_energy": -0.0698463050000004, "spacegroup": 216 }, { "id": "oqmd-999318", "created_at": "2022-09-04T15:26:15.427496Z", "updated_at": "2022-09-04T15:26:15.427524Z", "structure_string": "Ta1 Be1 Cu1 Ni1\n1.0\n0.000000 2.917695 2.917695\n2.917695 0.000000 2.917695\n2.917695 2.917695 0.000000\nBe Cu Ni Ta\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Be\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Ni", "Ta" ], "chemical_system": "Be-Cu-Ni-Ta", "density": 10.435940124509754, "density_atomic": 0.08052121552272008, "volume": 49.67634894770496, "volume_molar": 7.4789491451489285, "formula_full": "Ta1 Be1 Cu1 Ni1", "formula_reduced": "TaBeCuNi", "formula_anonymous": "ABCD", "formation_energy": -0.0688025700000008, "spacegroup": 216 }, { "id": "oqmd-999317", "created_at": "2022-09-04T15:26:16.277661Z", "updated_at": "2022-09-04T15:26:16.277694Z", "structure_string": "Ta1 Be1 Cu1 Ni1\n1.0\n0.000000 2.891933 2.891933\n2.891933 0.000000 2.891933\n2.891933 2.891933 0.000000\nBe Cu Ni Ta\n1 1 1 1\ndirect\n0.250001 0.250001 0.250001 Be\n0.750000 0.750000 0.750000 Cu\n0.499999 0.499999 0.499999 Ni\n0.000000 0.000000 0.000000 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Ni", "Ta" ], "chemical_system": "Be-Cu-Ni-Ta", "density": 10.717329200139535, "density_atomic": 0.08269234626266278, "volume": 48.372070460964515, "volume_molar": 7.28258542921416, "formula_full": "Ta1 Be1 Cu1 Ni1", "formula_reduced": "TaBeCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.0222236324999994, "spacegroup": 216 }, { "id": "oqmd-999316", "created_at": "2022-09-04T15:26:15.151226Z", "updated_at": "2022-09-04T15:26:15.151243Z", "structure_string": "Be1 Nb1 Cu1 Ni1\n1.0\n0.000000 2.894295 2.894295\n2.894295 0.000000 2.894295\n2.894295 2.894295 0.000000\nBe Cu Nb Ni\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Cu\n0.249999 0.249999 0.249999 Nb\n0.500001 0.500001 0.500001 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Nb", "Ni" ], "chemical_system": "Be-Cu-Nb-Ni", "density": 7.67617537198891, "density_atomic": 0.08249005869269571, "volume": 48.490691646873444, "volume_molar": 7.300444266180702, "formula_full": "Be1 Nb1 Cu1 Ni1", "formula_reduced": "BeNbCuNi", "formula_anonymous": "ABCD", "formation_energy": -0.0833640600000001, "spacegroup": 216 }, { "id": "oqmd-999315", "created_at": "2022-09-04T15:26:15.761139Z", "updated_at": "2022-09-04T15:26:15.761161Z", "structure_string": "Be1 Nb1 Cu1 Ni1\n1.0\n0.000000 2.925290 2.925290\n2.925290 0.000000 2.925290\n2.925290 2.925290 0.000000\nBe Cu Nb Ni\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Be\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Nb\n0.250001 0.250001 0.250001 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Nb", "Ni" ], "chemical_system": "Be-Cu-Nb-Ni", "density": 7.4347520893948005, "density_atomic": 0.07989566502841818, "volume": 50.06529451350378, "volume_molar": 7.537506268779388, "formula_full": "Be1 Nb1 Cu1 Ni1", "formula_reduced": "BeNbCuNi", "formula_anonymous": "ABCD", "formation_energy": -0.0576396199999998, "spacegroup": 216 }, { "id": "oqmd-999314", "created_at": "2022-09-04T15:26:14.995086Z", "updated_at": "2022-09-04T15:26:14.995106Z", "structure_string": "Be1 Nb1 Cu1 Ni1\n1.0\n0.000000 2.901208 2.901208\n2.901208 0.000000 2.901208\n2.901208 2.901208 0.000000\nBe Cu Nb Ni\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 Be\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Nb", "Ni" ], "chemical_system": "Be-Cu-Nb-Ni", "density": 7.6214336335348785, "density_atomic": 0.0819017905774972, "volume": 48.838981074719186, "volume_molar": 7.352880465173375, "formula_full": "Be1 Nb1 Cu1 Ni1", "formula_reduced": "BeNbCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.0068937775000002, "spacegroup": 216 }, { "id": "oqmd-999313", "created_at": "2022-09-04T15:26:15.777660Z", "updated_at": "2022-09-04T15:26:15.777685Z", "structure_string": "Ba1 Cr1 Cu1 Ir1\n1.0\n0.000000 3.406975 3.406975\n3.406975 0.000000 3.406975\n3.406975 3.406975 0.000000\nBa Cr Cu Ir\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.250000 0.250000 Cr\n0.750000 0.750000 0.750000 Cu\n0.499999 0.499999 0.499999 Ir\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cr", "Cu", "Ir" ], "chemical_system": "Ba-Cr-Cu-Ir", "density": 9.344504833186237, "density_atomic": 0.05057351686102524, "volume": 79.09277915142623, "volume_molar": 11.907696228737052, "formula_full": "Ba1 Cr1 Cu1 Ir1", "formula_reduced": "BaCrCuIr", "formula_anonymous": "ABCD", "formation_energy": 0.701144812499999, "spacegroup": 216 }, { "id": "oqmd-999312", "created_at": "2022-09-04T15:26:16.166556Z", "updated_at": "2022-09-04T15:26:16.166584Z", "structure_string": "Ba1 Cr1 Cu1 Ir1\n1.0\n0.000000 3.460453 3.460453\n3.460453 0.000000 3.460453\n3.460453 3.460453 0.000000\nBa Cr Cu Ir\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Ba\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Ir\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cr", "Cu", "Ir" ], "chemical_system": 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"BaCrCuIr", "formula_anonymous": "ABCD", "formation_energy": 0.834105222499999, "spacegroup": 216 }, { "id": "oqmd-999310", "created_at": "2022-09-04T15:26:14.968526Z", "updated_at": "2022-09-04T15:26:14.968557Z", "structure_string": "Ba1 Cu1 Mo1 Ir1\n1.0\n0.000000 3.340163 3.340163\n3.340163 0.000000 3.340163\n3.340163 3.340163 0.000000\nBa Cu Ir Mo\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750001 0.750001 0.750001 Cu\n0.500000 0.500000 0.500000 Ir\n0.250000 0.250000 0.250000 Mo\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Ir", "Mo" ], "chemical_system": "Ba-Cu-Ir-Mo", "density": 10.895611796687488, "density_atomic": 0.05366943371870328, "volume": 74.53031870925142, "volume_molar": 11.22080175386934, "formula_full": "Ba1 Cu1 Mo1 Ir1", "formula_reduced": "BaCuMoIr", "formula_anonymous": "ABCD", "formation_energy": 0.816302390000001, "spacegroup": 216 }, { "id": "oqmd-999309", "created_at": "2022-09-04T15:26:15.751623Z", "updated_at": "2022-09-04T15:26:15.751650Z", "structure_string": "Ba1 Cu1 Mo1 Ir1\n1.0\n0.000000 3.457278 3.457278\n3.457278 0.000000 3.457278\n3.457278 3.457278 0.000000\nBa Cu Ir Mo\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.749999 0.749999 0.749999 Cu\n0.250000 0.250000 0.250000 Ir\n0.000000 0.000000 0.000000 Mo\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Ir", "Mo" ], "chemical_system": "Ba-Cu-Ir-Mo", "density": 9.825432946019136, "density_atomic": 0.04839796351906153, "volume": 82.6481056051997, "volume_molar": 12.442963137546439, "formula_full": "Ba1 Cu1 Mo1 Ir1", "formula_reduced": "BaCuMoIr", "formula_anonymous": "ABCD", "formation_energy": 0.919731817500001, "spacegroup": 216 } ] }{ "count": 1013513, "next": "