Oqmd Structure
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"created_at": "2022-09-04T15:26:15.267051Z", "updated_at": "2022-09-04T15:26:15.267079Z", "structure_string": "Ba1 Co1 Cu1 W1\n1.0\n0.000000 3.267123 3.267123\n3.267123 0.000000 3.267123\n3.267123 3.267123 0.000000\nBa Co Cu W\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Co\n0.749999 0.749999 0.749999 Cu\n0.500000 0.500000 0.500000 W\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Co", "Cu", "W" ], "chemical_system": "Ba-Co-Cu-W", "density": 10.562322114204914, "density_atomic": 0.05735001563232996, "volume": 69.7471475098444, "volume_molar": 10.50067849781916, "formula_full": "Ba1 Co1 Cu1 W1", "formula_reduced": "BaCoCuW", "formula_anonymous": "ABCD", "formation_energy": 1.4954337925, "spacegroup": 216 }, { "id": "oqmd-999295", "created_at": "2022-09-04T15:26:15.160585Z", "updated_at": "2022-09-04T15:26:15.160610Z", "structure_string": "Ba1 Mn1 Cu1 Ru1\n1.0\n0.000000 3.405450 3.405450\n3.405450 0.000000 3.405450\n3.405450 3.405450 0.000000\nBa Cu Mn Ru\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 Mn\n0.250001 0.250001 0.250001 Ru\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Mn", "Ru" ], "chemical_system": "Ba-Cu-Mn-Ru", "density": 7.502725530546943, "density_atomic": 0.0506414895128022, "volume": 78.98661825475725, "volume_molar": 11.891713332163341, "formula_full": "Ba1 Mn1 Cu1 Ru1", "formula_reduced": "BaMnCuRu", "formula_anonymous": "ABCD", "formation_energy": 0.763513181551725, "spacegroup": 216 }, { "id": "oqmd-999294", "created_at": "2022-09-04T15:26:15.747289Z", "updated_at": "2022-09-04T15:26:15.747314Z", "structure_string": "Ba1 Mn1 Cu1 Ru1\n1.0\n0.000000 3.401215 3.401215\n3.401215 0.000000 3.401215\n3.401215 3.401215 0.000000\nBa Cu Mn Ru\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Ba\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Ru\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Mn", "Ru" ], "chemical_system": "Ba-Cu-Mn-Ru", "density": 7.530786346118558, "density_atomic": 0.050830892882511636, "volume": 78.69230251857724, "volume_molar": 11.847403062384366, "formula_full": "Ba1 Mn1 Cu1 Ru1", "formula_reduced": "BaMnCuRu", "formula_anonymous": "ABCD", "formation_energy": 0.825615396551725, "spacegroup": 216 }, { "id": "oqmd-999293", "created_at": "2022-09-04T15:26:15.727718Z", "updated_at": "2022-09-04T15:26:15.727739Z", "structure_string": "Ba1 Mn1 Cu1 Ru1\n1.0\n0.000000 3.364896 3.364896\n3.364896 0.000000 3.364896\n3.364896 3.364896 0.000000\nBa Cu Mn Ru\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Cu\n0.500001 0.500001 0.500001 Mn\n0.000000 0.000000 0.000000 Ru\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Mn", "Ru" ], "chemical_system": "Ba-Cu-Mn-Ru", "density": 7.7772784105135875, "density_atomic": 0.05249465163834338, "volume": 76.19823877597278, "volume_molar": 11.471912989324956, "formula_full": "Ba1 Mn1 Cu1 Ru1", "formula_reduced": "BaMnCuRu", "formula_anonymous": "ABCD", "formation_energy": 0.933551831551725, "spacegroup": 216 }, { "id": "oqmd-999292", "created_at": "2022-09-04T15:26:15.710062Z", "updated_at": "2022-09-04T15:26:15.710089Z", "structure_string": "Ba1 Mn1 Cu1 Os1\n1.0\n0.000000 3.405062 3.405062\n3.405062 0.000000 3.405062\n3.405062 3.405062 0.000000\nBa Cu Mn Os\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Os\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Mn", "Os" ], "chemical_system": "Ba-Cu-Mn-Os", "density": 9.38034592263397, "density_atomic": 0.05065880297461458, "volume": 78.9596233058334, "volume_molar": 11.887649147607632, "formula_full": "Ba1 Mn1 Cu1 Os1", "formula_reduced": "BaMnCuOs", "formula_anonymous": "ABCD", "formation_energy": 0.995340791551724, "spacegroup": 216 }, { "id": "oqmd-999291", "created_at": "2022-09-04T15:26:14.528121Z", "updated_at": "2022-09-04T15:26:14.528153Z", "structure_string": "Ba1 Mn1 Cu1 Os1\n1.0\n0.000000 3.387489 3.387489\n3.387489 0.000000 3.387489\n3.387489 3.387489 0.000000\nBa Cu Mn Os\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.749999 0.749999 0.749999 Cu\n0.249999 0.249999 0.249999 Mn\n0.000000 0.000000 0.000000 Os\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Mn", "Os" ], "chemical_system": "Ba-Cu-Mn-Os", "density": 9.527089509564169, "density_atomic": 0.05145129554571988, "volume": 77.74342623589682, "volume_molar": 11.70454639893119, "formula_full": "Ba1 Mn1 Cu1 Os1", "formula_reduced": "BaMnCuOs", "formula_anonymous": "ABCD", "formation_energy": 0.982989864051724, "spacegroup": 216 }, { "id": "oqmd-999290", "created_at": "2022-09-04T15:26:16.465560Z", "updated_at": "2022-09-04T15:26:16.465576Z", "structure_string": "Ba1 Mn1 Cu1 Os1\n1.0\n0.000000 3.383411 3.383411\n3.383411 0.000000 3.383411\n3.383411 3.383411 0.000000\nBa Cu Mn Os\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 Mn\n0.000000 0.000000 0.000000 Os\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Mn", "Os" ], "chemical_system": "Ba-Cu-Mn-Os", "density": 9.56157983653419, "density_atomic": 0.051637561456691065, "volume": 77.46299180597131, "volume_molar": 11.662326008657145, "formula_full": "Ba1 Mn1 Cu1 Os1", "formula_reduced": "BaMnCuOs", "formula_anonymous": "ABCD", "formation_energy": 1.20553979155172, "spacegroup": 216 }, { "id": "oqmd-999289", "created_at": "2022-09-04T15:26:14.811483Z", "updated_at": "2022-09-04T15:26:14.811510Z", "structure_string": "Ba1 Mn1 Fe1 Cu1\n1.0\n0.000000 3.499990 3.499990\n3.499990 0.000000 3.499990\n3.499990 3.499990 0.000000\nBa Cu Fe Mn\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 Fe\n0.250001 0.250001 0.250001 Mn\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Fe", "Mn" ], "chemical_system": "Ba-Cu-Fe-Mn", "density": 6.035235847815996, "density_atomic": 0.04664763015638723, "volume": 85.74926500209999, "volume_molar": 12.909853597729697, "formula_full": "Ba1 Mn1 Fe1 Cu1", "formula_reduced": "BaMnFeCu", "formula_anonymous": "ABCD", "formation_energy": 0.901006411551724, "spacegroup": 216 }, { "id": "oqmd-999288", "created_at": "2022-09-04T15:26:15.264845Z", "updated_at": "2022-09-04T15:26:15.264876Z", "structure_string": "Ba1 Mn1 Fe1 Cu1\n1.0\n0.000000 3.489390 3.489390\n3.489390 0.000000 3.489390\n3.489390 3.489390 0.000000\nBa Cu Fe Mn\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.750001 0.750001 0.750001 Cu\n0.250001 0.250001 0.250001 Fe\n0.000000 0.000000 0.000000 Mn\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Fe", "Mn" ], "chemical_system": "Ba-Cu-Fe-Mn", "density": 6.090404259090703, "density_atomic": 0.0470740386200083, "volume": 84.97252662532006, "volume_molar": 12.79291290176313, "formula_full": "Ba1 Mn1 Fe1 Cu1", "formula_reduced": "BaMnFeCu", "formula_anonymous": "ABCD", "formation_energy": 0.859678209051724, "spacegroup": 216 }, { "id": "oqmd-999287", "created_at": "2022-09-04T15:26:15.666994Z", "updated_at": "2022-09-04T15:26:15.667014Z", "structure_string": "Ba1 Mn1 Fe1 Cu1\n1.0\n0.000000 3.475871 3.475871\n3.475871 0.000000 3.475871\n3.475871 3.475871 0.000000\nBa Cu Fe Mn\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 Fe\n0.000000 0.000000 0.000000 Mn\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Fe", "Mn" ], "chemical_system": "Ba-Cu-Fe-Mn", "density": 6.161744789932508, "density_atomic": 0.047625444858601804, "volume": 83.9887167852364, "volume_molar": 12.644796868311708, "formula_full": "Ba1 Mn1 Fe1 Cu1", "formula_reduced": "BaMnFeCu", "formula_anonymous": "ABCD", "formation_energy": 0.965902436551724, "spacegroup": 216 }, { "id": "oqmd-999286", "created_at": "2022-09-04T15:26:14.866511Z", "updated_at": "2022-09-04T15:26:14.866539Z", "structure_string": "Ba1 Cu1 Tc1 Ru1\n1.0\n0.000000 3.397049 3.397049\n3.397049 0.000000 3.397049\n3.397049 3.397049 0.000000\nBa Cu Ru Tc\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 Ru\n0.499999 0.499999 0.499999 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Ba", "Cu", "Ru", "Tc" ], "chemical_system": "Ba-Cu-Ru-Tc", "density": 8.470553071771334, "density_atomic": 0.05101813301484023, "volume": 78.40349623998341, "volume_molar": 11.803922260832772, "formula_full": "Ba1 Cu1 Tc1 Ru1", "formula_reduced": "BaCuTcRu", "formula_anonymous": "ABCD", "formation_energy": 1.03049082375, "spacegroup": 216 } ] }{ "count": 1013513, "next": "