Oqmd Structure
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"oqmd-999070", "created_at": "2022-09-04T15:26:15.807396Z", "updated_at": "2022-09-04T15:26:15.807426Z", "structure_string": "Mn1 Co1 Cu1 Au1\n1.0\n0.000000 3.031702 3.031702\n3.031702 0.000000 3.031702\n3.031702 3.031702 0.000000\nAu Co Cu Mn\n1 1 1 1\ndirect\n0.250002 0.250002 0.250002 Au\n0.000000 0.000000 0.000000 Co\n0.750001 0.750001 0.750001 Cu\n0.500000 0.500000 0.500000 Mn\n", "nsites": 4, "nelements": 4, "elements": [ "Au", "Co", "Cu", "Mn" ], "chemical_system": "Au-Co-Cu-Mn", "density": 11.155181210332582, "density_atomic": 0.07177454778782412, "volume": 55.73006202455744, "volume_molar": 8.390356951885387, "formula_full": "Mn1 Co1 Cu1 Au1", "formula_reduced": "MnCoCuAu", "formula_anonymous": "ABCD", "formation_energy": 0.207474351551724, "spacegroup": 216 }, { "id": "oqmd-999069", "created_at": "2022-09-04T15:26:14.212438Z", "updated_at": "2022-09-04T15:26:14.212466Z", "structure_string": "Fe1 Cu1 Ru1 Au1\n1.0\n0.000000 3.064074 3.064074\n3.064074 0.000000 3.064074\n3.064074 3.064074 0.000000\nAu Cu Fe Ru\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Au\n0.750000 0.750000 0.750000 Cu\n0.500001 0.500001 0.500001 Fe\n0.249999 0.249999 0.249999 Ru\n", "nsites": 4, "nelements": 4, "elements": [ "Au", "Cu", "Fe", "Ru" ], "chemical_system": "Au-Cu-Fe-Ru", "density": 12.047653862284612, "density_atomic": 0.0695235991099651, "volume": 57.5344207032956, "volume_molar": 8.662009500507608, "formula_full": "Fe1 Cu1 Ru1 Au1", "formula_reduced": "FeCuRuAu", "formula_anonymous": "ABCD", "formation_energy": 0.34123875, "spacegroup": 216 }, { "id": "oqmd-999068", "created_at": "2022-09-04T15:26:14.025458Z", "updated_at": "2022-09-04T15:26:14.025485Z", "structure_string": "Fe1 Cu1 Ru1 Au1\n1.0\n0.000000 3.038744 3.038744\n3.038744 0.000000 3.038744\n3.038744 3.038744 0.000000\nAu Cu Fe Ru\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Au\n0.749999 0.749999 0.749999 Cu\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Ru\n", "nsites": 4, "nelements": 4, "elements": [ "Au", "Cu", "Fe", "Ru" ], "chemical_system": "Au-Cu-Fe-Ru", "density": 12.351448373110712, "density_atomic": 0.07127671121161679, "volume": 56.119312072693866, "volume_molar": 8.448959916403245, "formula_full": "Fe1 Cu1 Ru1 Au1", "formula_reduced": "FeCuRuAu", "formula_anonymous": "ABCD", "formation_energy": 0.2247985575, "spacegroup": 216 }, { "id": "oqmd-999067", "created_at": "2022-09-04T15:26:14.195510Z", "updated_at": "2022-09-04T15:26:14.195541Z", "structure_string": "Fe1 Cu1 Ru1 Au1\n1.0\n0.000000 3.068063 3.068063\n3.068063 0.000000 3.068063\n3.068063 3.068063 0.000000\nAu Cu Fe Ru\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Au\n0.750001 0.750001 0.750001 Cu\n0.500001 0.500001 0.500001 Fe\n0.000000 0.000000 0.000000 Ru\n", "nsites": 4, "nelements": 4, "elements": [ "Au", "Cu", "Fe", "Ru" ], "chemical_system": "Au-Cu-Fe-Ru", "density": 12.000722979800516, "density_atomic": 0.06925277427576935, "volume": 57.75941890893385, "volume_molar": 8.695883772135131, "formula_full": "Fe1 Cu1 Ru1 Au1", "formula_reduced": "FeCuRuAu", "formula_anonymous": "ABCD", "formation_energy": 0.450827309999999, "spacegroup": 216 }, { "id": "oqmd-999066", "created_at": "2022-09-04T15:26:15.111447Z", "updated_at": "2022-09-04T15:26:15.111475Z", "structure_string": "Fe1 Cu1 Os1 Au1\n1.0\n0.000000 3.063897 3.063897\n3.063897 0.000000 3.063897\n3.063897 3.063897 0.000000\nAu Cu Fe Os\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Au\n0.750001 0.750001 0.750001 Cu\n0.500000 0.500000 0.500000 Fe\n0.250000 0.250000 0.250000 Os\n", "nsites": 4, "nelements": 4, "elements": [ "Au", "Cu", "Fe", "Os" ], "chemical_system": "Au-Cu-Fe-Os", "density": 14.623493829557543, "density_atomic": 0.06953564885049143, "volume": 57.52445063970566, "volume_molar": 8.660508472349488, "formula_full": "Fe1 Cu1 Os1 Au1", "formula_reduced": "FeCuOsAu", "formula_anonymous": "ABCD", "formation_energy": 0.52213363, "spacegroup": 216 }, { "id": "oqmd-999065", "created_at": "2022-09-04T15:26:15.077348Z", "updated_at": "2022-09-04T15:26:15.077372Z", "structure_string": "Fe1 Cu1 Os1 Au1\n1.0\n0.000000 3.034924 3.034924\n3.034924 0.000000 3.034924\n3.034924 3.034924 0.000000\nAu Cu Fe Os\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Au\n0.750001 0.750001 0.750001 Cu\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Os\n", "nsites": 4, "nelements": 4, "elements": [ "Au", "Cu", "Fe", "Os" ], "chemical_system": "Au-Cu-Fe-Os", "density": 15.046315713590023, "density_atomic": 0.07154619396351765, "volume": 55.90793553658009, "volume_molar": 8.417136435057285, "formula_full": "Fe1 Cu1 Os1 Au1", "formula_reduced": "FeCuOsAu", "formula_anonymous": "ABCD", "formation_energy": 0.40979105, "spacegroup": 216 }, { "id": "oqmd-999064", "created_at": "2022-09-04T15:26:14.926361Z", "updated_at": "2022-09-04T15:26:14.926381Z", "structure_string": "Fe1 Cu1 Os1 Au1\n1.0\n0.000000 3.062434 3.062434\n3.062434 0.000000 3.062434\n3.062434 3.062434 0.000000\nAu Cu Fe Os\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Cu\n0.500001 0.500001 0.500001 Fe\n0.000000 0.000000 0.000000 Os\n", "nsites": 4, "nelements": 4, "elements": [ "Au", "Cu", "Fe", "Os" ], "chemical_system": "Au-Cu-Fe-Os", "density": 14.644461850701942, "density_atomic": 0.06963535313268149, "volume": 57.44208681441593, "volume_molar": 8.648108308613818, "formula_full": "Fe1 Cu1 Os1 Au1", "formula_reduced": "FeCuOsAu", "formula_anonymous": "ABCD", "formation_energy": 0.6547778725, "spacegroup": 216 }, { "id": "oqmd-999063", "created_at": "2022-09-04T15:26:14.238150Z", "updated_at": "2022-09-04T15:26:14.238176Z", "structure_string": "Cu1 Tc1 Ir1 Au1\n1.0\n0.000000 3.101640 3.101640\n3.101640 0.000000 3.101640\n3.101640 3.101640 0.000000\nAu Cu Ir Tc\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Au\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Ir\n0.500000 0.500000 0.500000 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Au", "Cu", "Ir", "Tc" ], "chemical_system": "Au-Cu-Ir-Tc", "density": 15.324394719062067, "density_atomic": 0.06702793333537853, "volume": 59.676612435381905, "volume_molar": 8.984524004145907, "formula_full": "Cu1 Tc1 Ir1 Au1", "formula_reduced": "CuTcIrAu", "formula_anonymous": "ABCD", "formation_energy": 0.35957477625, "spacegroup": 216 }, { "id": "oqmd-999062", "created_at": "2022-09-04T15:26:14.956739Z", "updated_at": "2022-09-04T15:26:14.956770Z", "structure_string": "Cu1 Tc1 Ir1 Au1\n1.0\n0.000000 3.107975 3.107975\n3.107975 0.000000 3.107975\n3.107975 3.107975 0.000000\nAu Cu Ir Tc\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Au\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Au", "Cu", "Ir", "Tc" ], "chemical_system": "Au-Cu-Ir-Tc", "density": 15.230878236828852, "density_atomic": 0.06661889815638448, "volume": 60.04302248605498, "volume_molar": 9.039688326671707, "formula_full": "Cu1 Tc1 Ir1 Au1", "formula_reduced": "CuTcIrAu", "formula_anonymous": "ABCD", "formation_energy": 0.39338038125, "spacegroup": 216 }, { "id": "oqmd-999061", "created_at": "2022-09-04T15:26:14.959254Z", "updated_at": "2022-09-04T15:26:14.959275Z", "structure_string": "Cu1 Tc1 Ir1 Au1\n1.0\n0.000000 3.090457 3.090457\n3.090457 0.000000 3.090457\n3.090457 3.090457 0.000000\nAu Cu Ir Tc\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 Au\n0.749999 0.749999 0.749999 Cu\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Au", "Cu", "Ir", "Tc" ], "chemical_system": "Au-Cu-Ir-Tc", "density": 15.491354081045731, "density_atomic": 0.06775820302562854, "volume": 59.03344276245134, "volume_molar": 8.88769254657213, "formula_full": "Cu1 Tc1 Ir1 Au1", "formula_reduced": "CuTcIrAu", "formula_anonymous": "ABCD", "formation_energy": 0.48228634375, "spacegroup": 216 }, { "id": "oqmd-999060", "created_at": "2022-09-04T15:26:14.320820Z", "updated_at": "2022-09-04T15:26:14.320832Z", "structure_string": "Co1 Cu1 Tc1 Au1\n1.0\n0.000000 2.998996 2.998996\n2.998996 0.000000 2.998996\n2.998996 2.998996 0.000000\nAu Co Cu Tc\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Au\n0.250000 0.250000 0.250000 Co\n0.750001 0.750001 0.750001 Cu\n0.499999 0.499999 0.499999 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Au", "Co", "Cu", "Tc" ], "chemical_system": "Au-Co-Cu-Tc", "density": 12.849655983993742, "density_atomic": 0.07414849425079167, "volume": 53.9458021422639, "volume_molar": 8.12173034779557, "formula_full": "Co1 Cu1 Tc1 Au1", "formula_reduced": "CoCuTcAu", "formula_anonymous": "ABCD", "formation_energy": 0.34096027125, "spacegroup": 216 } ] }{ "count": 1013513, "next": "