Oqmd Structure
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"oqmd-999272", "created_at": "2022-09-04T15:26:14.614326Z", "updated_at": "2022-09-04T15:26:14.614353Z", "structure_string": "Ba1 Cu1 Mo1 Rh1\n1.0\n0.000000 3.397618 3.397618\n3.397618 0.000000 3.397618\n3.397618 3.397618 0.000000\nBa Cu Mo Rh\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 Mo\n0.499999 0.499999 0.499999 Rh\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Mo", "Rh" ], "chemical_system": "Ba-Cu-Mo-Rh", "density": 8.46154570001645, "density_atomic": 0.05099250524584808, "volume": 78.44290020101903, "volume_molar": 11.80985466582922, "formula_full": "Ba1 Cu1 Mo1 Rh1", "formula_reduced": "BaCuMoRh", "formula_anonymous": "ABCD", "formation_energy": 1.016745815, "spacegroup": 216 }, { "id": "oqmd-999271", "created_at": "2022-09-04T15:26:15.114538Z", "updated_at": "2022-09-04T15:26:15.114566Z", "structure_string": "Ba1 Cu1 Rh1 W1\n1.0\n0.000000 3.356678 3.356678\n3.356678 0.000000 3.356678\n3.356678 3.356678 0.000000\nBa Cu Rh W\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.749999 0.749999 0.749999 Cu\n0.500000 0.500000 0.500000 Rh\n0.250000 0.250000 0.250000 W\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Rh", "W" ], "chemical_system": "Ba-Cu-Rh-W", "density": 10.704594721965371, "density_atomic": 0.05288115706578491, "volume": 75.64131009886836, "volume_molar": 11.38806541715487, "formula_full": "Ba1 Cu1 Rh1 W1", "formula_reduced": "BaCuRhW", "formula_anonymous": "ABCD", "formation_energy": 0.996330804999999, "spacegroup": 216 }, { "id": "oqmd-999270", "created_at": "2022-09-04T15:26:15.161755Z", "updated_at": "2022-09-04T15:26:15.161769Z", "structure_string": "Ba1 Cu1 Rh1 W1\n1.0\n0.000000 3.444140 3.444140\n3.444140 0.000000 3.444140\n3.444140 3.444140 0.000000\nBa Cu Rh W\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Rh\n0.000000 0.000000 0.000000 W\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Rh", "W" ], "chemical_system": "Ba-Cu-Rh-W", "density": 9.90961737288448, "density_atomic": 0.048953934863320295, "volume": 81.70946852725989, "volume_molar": 12.301648022398723, "formula_full": "Ba1 Cu1 Rh1 W1", "formula_reduced": "BaCuRhW", "formula_anonymous": "ABCD", "formation_energy": 1.040419055, "spacegroup": 216 }, { "id": "oqmd-999269", "created_at": "2022-09-04T15:26:16.142188Z", "updated_at": "2022-09-04T15:26:16.142217Z", "structure_string": "Ba1 Cu1 Rh1 W1\n1.0\n0.000000 3.337927 3.337927\n3.337927 0.000000 3.337927\n3.337927 3.337927 0.000000\nBa Cu Rh W\n1 1 1 1\ndirect\n0.250001 0.250001 0.250001 Ba\n0.750001 0.750001 0.750001 Cu\n0.500000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 W\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Rh", "W" ], "chemical_system": "Ba-Cu-Rh-W", "density": 10.88601109246451, "density_atomic": 0.05377736171732432, "volume": 74.38074074785644, "volume_molar": 11.198282265416479, "formula_full": "Ba1 Cu1 Rh1 W1", "formula_reduced": "BaCuRhW", "formula_anonymous": "ABCD", "formation_energy": 1.246846865, "spacegroup": 216 }, { "id": "oqmd-999268", "created_at": "2022-09-04T15:26:14.648848Z", "updated_at": "2022-09-04T15:26:14.648880Z", "structure_string": "Ba1 Cu1 Te1 Ir1\n1.0\n0.000000 3.565251 3.565251\n3.565251 0.000000 3.565251\n3.565251 3.565251 0.000000\nBa Cu Ir Te\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.749999 0.749999 0.749999 Cu\n0.250001 0.250001 0.250001 Ir\n0.500000 0.500000 0.500000 Te\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Ir", "Te" ], "chemical_system": "Ba-Cu-Ir-Te", "density": 9.539552615551466, "density_atomic": 0.04413261530517588, "volume": 90.63591569047301, "volume_molar": 13.645556054988027, "formula_full": "Ba1 Cu1 Te1 Ir1", "formula_reduced": "BaCuTeIr", "formula_anonymous": "ABCD", "formation_energy": 0.251976664166667, "spacegroup": 216 }, { "id": "oqmd-999267", "created_at": "2022-09-04T15:26:14.842305Z", "updated_at": "2022-09-04T15:26:14.842328Z", "structure_string": "Ba1 Cu1 Te1 Ir1\n1.0\n0.000000 3.588354 3.588354\n3.588354 0.000000 3.588354\n3.588354 3.588354 0.000000\nBa Cu Ir Te\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Ba\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Te\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Ir", "Te" ], "chemical_system": "Ba-Cu-Ir-Te", "density": 9.356480066267784, "density_atomic": 0.04328567093408417, "volume": 92.40933347414756, "volume_molar": 13.91255034297741, "formula_full": "Ba1 Cu1 Te1 Ir1", "formula_reduced": "BaCuTeIr", "formula_anonymous": "ABCD", "formation_energy": 0.269283934166667, "spacegroup": 216 }, { "id": "oqmd-999266", "created_at": "2022-09-04T15:26:15.031100Z", "updated_at": "2022-09-04T15:26:15.031122Z", "structure_string": "Ba1 Cu1 Te1 Ir1\n1.0\n0.000000 3.653521 3.653521\n3.653521 0.000000 3.653521\n3.653521 3.653521 0.000000\nBa Cu Ir Te\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 Ir\n0.500000 0.500000 0.500000 Te\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Ir", "Te" ], "chemical_system": "Ba-Cu-Ir-Te", "density": 8.864689226143957, "density_atomic": 0.04101051015532689, "volume": 97.53597272626068, "volume_molar": 14.68438392302657, "formula_full": "Ba1 Cu1 Te1 Ir1", "formula_reduced": "BaCuTeIr", "formula_anonymous": "ABCD", "formation_energy": 0.511840984166667, "spacegroup": 216 }, { "id": "oqmd-999265", "created_at": "2022-09-04T15:26:15.248628Z", "updated_at": "2022-09-04T15:26:15.248643Z", "structure_string": "Ba1 Co1 Cu1 Te1\n1.0\n0.000000 3.543194 3.543194\n3.543194 0.000000 3.543194\n3.543194 3.543194 0.000000\nBa Co Cu Te\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Cu\n0.499999 0.499999 0.499999 Te\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Co", "Cu", "Te" ], "chemical_system": "Ba-Co-Cu-Te", 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"structure_string": "Ba1 Cu1 Te1 Rh1\n1.0\n0.000000 3.562302 3.562302\n3.562302 0.000000 3.562302\n3.562302 3.562302 0.000000\nBa Cu Rh Te\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Rh\n0.500000 0.500000 0.500000 Te\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Rh", "Te" ], "chemical_system": "Ba-Cu-Rh-Te", "density": 7.922922241617789, "density_atomic": 0.04424230969883351, "volume": 90.41119297859495, "volume_molar": 13.611723259915564, "formula_full": "Ba1 Cu1 Te1 Rh1", "formula_reduced": "BaCuTeRh", "formula_anonymous": "ABCD", "formation_energy": -0.0344196608333327, "spacegroup": 216 } ] }{ "count": 1013513, "next": "