Oqmd Structure
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"oqmd-999212", "created_at": "2022-09-04T15:26:14.702730Z", "updated_at": "2022-09-04T15:26:14.702747Z", "structure_string": "Ba1 Cu1 Ni1 Bi1\n1.0\n0.000000 3.680275 3.680275\n3.680275 0.000000 3.680275\n3.680275 3.680275 0.000000\nBa Bi Cu Ni\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 Ba\n0.000000 0.000000 0.000000 Bi\n0.750000 0.750000 0.750000 Cu\n0.500001 0.500001 0.500001 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Bi", "Cu", "Ni" ], "chemical_system": "Ba-Bi-Cu-Ni", "density": 7.804251622683505, "density_atomic": 0.04012261043251183, "volume": 99.69441062984158, "volume_molar": 15.009344344953657, "formula_full": "Ba1 Cu1 Ni1 Bi1", "formula_reduced": "BaCuNiBi", "formula_anonymous": "ABCD", "formation_energy": 0.38653413875, "spacegroup": 216 }, { "id": "oqmd-999211", "created_at": "2022-09-04T15:26:15.623904Z", "updated_at": "2022-09-04T15:26:15.623936Z", "structure_string": "Ba1 Ta1 Cu1 Ni1\n1.0\n0.000000 3.346728 3.346728\n3.346728 0.000000 3.346728\n3.346728 3.346728 0.000000\nBa Cu Ni Ta\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 Ni\n0.250001 0.250001 0.250001 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Ni", "Ta" ], "chemical_system": "Ba-Cu-Ni-Ta", "density": 9.757034521085412, "density_atomic": 0.05335421617338819, "volume": 74.97064500021845, "volume_molar": 11.287094426482644, "formula_full": "Ba1 Ta1 Cu1 Ni1", "formula_reduced": "BaTaCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.964312662499999, "spacegroup": 216 }, { "id": "oqmd-999210", "created_at": "2022-09-04T15:26:14.912868Z", "updated_at": "2022-09-04T15:26:14.912896Z", "structure_string": "Ba1 Ta1 Cu1 Ni1\n1.0\n0.000000 3.440465 3.440465\n3.440465 0.000000 3.440465\n3.440465 3.440465 0.000000\nBa Cu Ni Ta\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Ba\n0.750000 0.750000 0.750000 Cu\n0.250001 0.250001 0.250001 Ni\n0.000000 0.000000 0.000000 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Ni", "Ta" ], "chemical_system": "Ba-Cu-Ni-Ta", "density": 8.981061303356766, "density_atomic": 0.049110975800098204, "volume": 81.4481882070851, "volume_molar": 12.262311350750963, "formula_full": "Ba1 Ta1 Cu1 Ni1", "formula_reduced": "BaTaCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.872653187499999, "spacegroup": 216 }, { "id": "oqmd-999209", "created_at": "2022-09-04T15:26:14.805888Z", "updated_at": "2022-09-04T15:26:14.805912Z", "structure_string": "Ba1 Ta1 Cu1 Ni1\n1.0\n0.000000 3.330866 3.330866\n3.330866 0.000000 3.330866\n3.330866 3.330866 0.000000\nBa Cu Ni Ta\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\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": [ "Ba", "Cu", "Ni", "Ta" ], "chemical_system": "Ba-Cu-Ni-Ta", "density": 9.897092031871981, "density_atomic": 0.05412009013755881, "volume": 73.90970690981979, "volume_molar": 11.127366463531985, 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"updated_at": "2022-09-04T15:26:14.985675Z", "structure_string": "Ba1 Nb1 Cu1 Ni1\n1.0\n0.000000 3.471003 3.471003\n3.471003 0.000000 3.471003\n3.471003 3.471003 0.000000\nBa Cu Nb Ni\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 Nb\n0.250000 0.250000 0.250000 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Nb", "Ni" ], "chemical_system": "Ba-Cu-Nb-Ni", "density": 6.9980931434710385, "density_atomic": 0.0478261067151198, "volume": 83.63632908332544, "volume_molar": 12.591743659736688, "formula_full": "Ba1 Nb1 Cu1 Ni1", "formula_reduced": "BaNbCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.7908477775, "spacegroup": 216 }, { "id": "oqmd-999206", "created_at": "2022-09-04T15:26:14.257169Z", "updated_at": "2022-09-04T15:26:14.257189Z", "structure_string": "Ba1 Nb1 Cu1 Ni1\n1.0\n0.000000 3.330074 3.330074\n3.330074 0.000000 3.330074\n3.330074 3.330074 0.000000\nBa Cu Nb Ni\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 Nb\n0.499999 0.499999 0.499999 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Nb", "Ni" ], "chemical_system": "Ba-Cu-Nb-Ni", "density": 7.92470368784104, "density_atomic": 0.05415871387965009, "volume": 73.8569975810113, "volume_molar": 11.11943088859574, "formula_full": "Ba1 Nb1 Cu1 Ni1", "formula_reduced": "BaNbCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.92283214, "spacegroup": 216 }, { "id": "oqmd-999205", "created_at": "2022-09-04T15:26:14.898751Z", "updated_at": "2022-09-04T15:26:14.898780Z", "structure_string": "Cr1 Cu1 B1 Ru1\n1.0\n0.000000 2.810291 2.810291\n2.810291 0.000000 2.810291\n2.810291 2.810291 0.000000\nB Cr Cu Ru\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.250001 0.250001 0.250001 Cr\n0.750001 0.750001 0.750001 Cu\n0.500000 0.500000 0.500000 Ru\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Cr", "Cu", "Ru" ], "chemical_system": "B-Cr-Cu-Ru", 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"ABCD", "formation_energy": 0.4162918875, "spacegroup": 216 }, { "id": "oqmd-999203", "created_at": "2022-09-04T15:26:14.676832Z", "updated_at": "2022-09-04T15:26:14.676860Z", "structure_string": "Cr1 Cu1 B1 Ru1\n1.0\n0.000000 2.802578 2.802578\n2.802578 0.000000 2.802578\n2.802578 2.802578 0.000000\nB Cr Cu Ru\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 B\n0.000000 0.000000 0.000000 Cr\n0.749999 0.749999 0.749999 Cu\n0.500000 0.500000 0.500000 Ru\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Cr", "Cu", "Ru" ], "chemical_system": "B-Cr-Cu-Ru", "density": 8.577891553968149, "density_atomic": 0.09085668145384174, "volume": 44.02538080847841, "volume_molar": 6.628176006031489, "formula_full": "Cr1 Cu1 B1 Ru1", "formula_reduced": "CrCuBRu", "formula_anonymous": "ABCD", "formation_energy": 0.3676029725, "spacegroup": 216 }, { "id": "oqmd-999202", "created_at": "2022-09-04T15:26:15.345441Z", "updated_at": "2022-09-04T15:26:15.345462Z", "structure_string": "Cu1 B1 Mo1 Ru1\n1.0\n0.000000 2.914623 2.914623\n2.914623 0.000000 2.914623\n2.914623 2.914623 0.000000\nB Cu Mo Ru\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 B\n0.749999 0.749999 0.749999 Cu\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Ru\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Cu", "Mo", "Ru" ], "chemical_system": "B-Cu-Mo-Ru", "density": 9.099739758008281, "density_atomic": 0.08077609100742816, "volume": 49.51960351277905, "volume_molar": 7.455350568333647, "formula_full": "Cu1 B1 Mo1 Ru1", "formula_reduced": "CuBMoRu", "formula_anonymous": "ABCD", "formation_energy": 0.5366786875, "spacegroup": 216 } ] }{ "count": 1013513, "next": "