Oqmd Structure
GET /third-parties/OqmdStructure/?format=api&ordering=-id&page=363
{ "count": 1013513, "next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-id&page=364", "previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-id&page=362", "results": [ { "id": "oqmd-995708", "created_at": "2022-09-04T15:25:54.423666Z", "updated_at": "2022-09-04T15:25:54.423687Z", "structure_string": "Li1 Ti1 Bi1 Ru1\n1.0\n0.000000 3.195844 3.195844\n3.195844 0.000000 3.195844\n3.195844 3.195844 0.000000\nBi Li Ru Ti\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.750001 0.750001 0.750001 Li\n0.250000 0.250000 0.250000 Ru\n0.499999 0.499999 0.499999 Ti\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Li", "Ru", "Ti" ], "chemical_system": "Bi-Li-Ru-Ti", "density": 9.280828251157818, "density_atomic": 0.061273583524097626, "volume": 65.28098684528355, "volume_molar": 9.828282293350147, "formula_full": "Li1 Ti1 Bi1 Ru1", "formula_reduced": "LiTiBiRu", "formula_anonymous": "ABCD", "formation_energy": -0.302287759696566, "spacegroup": 216 }, { "id": "oqmd-995707", "created_at": "2022-09-04T15:25:54.201899Z", "updated_at": "2022-09-04T15:25:54.201922Z", "structure_string": "Li1 Ti1 Bi1 Ru1\n1.0\n0.000000 3.218721 3.218721\n3.218721 0.000000 3.218721\n3.218721 3.218721 0.000000\nBi Li Ru Ti\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Bi\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Ti\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Li", "Ru", "Ti" ], "chemical_system": "Bi-Li-Ru-Ti", "density": 9.084341472430353, "density_atomic": 0.05997634488095861, "volume": 66.69296049866364, "volume_molar": 10.040859895601805, "formula_full": "Li1 Ti1 Bi1 Ru1", "formula_reduced": "LiTiBiRu", "formula_anonymous": "ABCD", "formation_energy": -0.0975021046965656, "spacegroup": 216 }, { "id": "oqmd-995706", "created_at": "2022-09-04T15:25:54.173930Z", "updated_at": "2022-09-04T15:25:54.173951Z", "structure_string": "Li1 Ti1 Bi1 Ru1\n1.0\n0.000000 3.227159 3.227159\n3.227159 0.000000 3.227159\n3.227159 3.227159 0.000000\nBi Li Ru Ti\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ti\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Li", "Ru", "Ti" ], "chemical_system": "Bi-Li-Ru-Ti", "density": 9.013269588846955, "density_atomic": 0.05950711639432878, "volume": 67.21885116216475, "volume_molar": 10.120034585601143, "formula_full": "Li1 Ti1 Bi1 Ru1", "formula_reduced": "LiTiBiRu", "formula_anonymous": "ABCD", "formation_energy": 0.0768492753034344, "spacegroup": 216 }, { "id": "oqmd-995705", "created_at": "2022-09-04T15:25:54.269286Z", "updated_at": "2022-09-04T15:25:54.269309Z", "structure_string": "Li1 Ti1 Bi1 Os1\n1.0\n0.000000 3.207436 3.207436\n3.207436 0.000000 3.207436\n3.207436 3.207436 0.000000\nBi Li Os Ti\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.749999 0.749999 0.749999 Li\n0.250000 0.250000 0.250000 Os\n0.499999 0.499999 0.499999 Ti\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Li", "Os", "Ti" ], "chemical_system": "Bi-Li-Os-Ti", "density": 11.424009550961266, "density_atomic": 0.06061163475599042, "volume": 65.993930308977, "volume_molar": 9.935618440657244, "formula_full": "Li1 Ti1 Bi1 Os1", "formula_reduced": "LiTiBiOs", "formula_anonymous": "ABCD", "formation_energy": -0.148564979696566, "spacegroup": 216 }, { "id": "oqmd-995704", "created_at": "2022-09-04T15:25:54.477332Z", "updated_at": "2022-09-04T15:25:54.477358Z", "structure_string": "Li1 Ti1 Bi1 Os1\n1.0\n0.000000 3.213660 3.213660\n3.213660 0.000000 3.213660\n3.213660 3.213660 0.000000\nBi Li Os Ti\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Bi\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Os\n0.250000 0.250000 0.250000 Ti\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Li", "Os", "Ti" ], "chemical_system": "Bi-Li-Os-Ti", "density": 11.357762265827196, "density_atomic": 0.060260150784254396, "volume": 66.3788581333118, "volume_molar": 9.993570679171862, "formula_full": "Li1 Ti1 Bi1 Os1", "formula_reduced": "LiTiBiOs", "formula_anonymous": "ABCD", "formation_energy": 0.0492424528034334, "spacegroup": 216 }, { "id": "oqmd-995703", "created_at": "2022-09-04T15:25:54.959831Z", "updated_at": "2022-09-04T15:25:54.959858Z", "structure_string": "Li1 Ti1 Bi1 Os1\n1.0\n0.000000 3.232209 3.232209\n3.232209 0.000000 3.232209\n3.232209 3.232209 0.000000\nBi Li Os Ti\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 Bi\n0.750001 0.750001 0.750001 Li\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Ti\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Li", "Os", "Ti" ], "chemical_system": "Bi-Li-Os-Ti", "density": 11.163342515126077, "density_atomic": 0.05922863038274568, "volume": 67.53490624637622, "volume_molar": 10.167617790727022, "formula_full": "Li1 Ti1 Bi1 Os1", "formula_reduced": "LiTiBiOs", "formula_anonymous": "ABCD", "formation_energy": 0.309756780303434, "spacegroup": 216 }, { "id": "oqmd-995702", "created_at": "2022-09-04T15:26:05.887970Z", "updated_at": "2022-09-04T15:26:05.887991Z", "structure_string": "Li1 Ti1 Fe1 Bi1\n1.0\n0.000000 3.230596 3.230596\n3.230596 0.000000 3.230596\n3.230596 3.230596 0.000000\nBi Fe Li Ti\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Bi\n0.000000 0.000000 0.000000 Fe\n0.749999 0.749999 0.749999 Li\n0.250000 0.250000 0.250000 Ti\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Fe", "Li", "Ti" ], "chemical_system": "Bi-Fe-Li-Ti", "density": 7.870880219257603, "density_atomic": 0.0593173912386493, "volume": 67.43384893490948, "volume_molar": 10.152403256865023, "formula_full": "Li1 Ti1 Fe1 Bi1", "formula_reduced": "LiTiFeBi", "formula_anonymous": "ABCD", "formation_energy": 0.0273800453034339, "spacegroup": 216 }, { "id": "oqmd-995701", "created_at": "2022-09-04T15:25:54.485180Z", "updated_at": "2022-09-04T15:25:54.485205Z", "structure_string": "Li1 Ti1 Fe1 Bi1\n1.0\n0.000000 3.232722 3.232722\n3.232722 0.000000 3.232722\n3.232722 3.232722 0.000000\nBi Fe Li Ti\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Fe\n0.750001 0.750001 0.750001 Li\n0.500000 0.500000 0.500000 Ti\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Fe", "Li", "Ti" ], "chemical_system": "Bi-Fe-Li-Ti", "density": 7.85536157369262, "density_atomic": 0.05920043791896597, "volume": 67.56706775506005, "volume_molar": 10.172459819035721, "formula_full": "Li1 Ti1 Fe1 Bi1", "formula_reduced": "LiTiFeBi", "formula_anonymous": "ABCD", "formation_energy": 0.268452315303434, "spacegroup": 216 }, { "id": "oqmd-995700", "created_at": "2022-09-04T15:25:54.603689Z", "updated_at": "2022-09-04T15:25:54.603716Z", "structure_string": "Li1 Cd1 Bi1 Pd1\n1.0\n0.000000 3.432150 3.432150\n3.432150 0.000000 3.432150\n3.432150 3.432150 0.000000\nBi Cd Li Pd\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.250001 0.250001 0.250001 Cd\n0.749999 0.749999 0.749999 Li\n0.500000 0.500000 0.500000 Pd\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cd", "Li", "Pd" ], "chemical_system": "Bi-Cd-Li-Pd", "density": 8.92816709005796, "density_atomic": 0.049468781737567635, "volume": 80.85907636092675, "volume_molar": 12.173618489227238, "formula_full": "Li1 Cd1 Bi1 Pd1", "formula_reduced": "LiCdBiPd", "formula_anonymous": "ABCD", "formation_energy": -0.22836812125, "spacegroup": 216 }, { "id": "oqmd-9957", "created_at": "2022-09-04T15:17:26.791945Z", "updated_at": "2022-09-04T15:17:26.791973Z", "structure_string": "La2 Co2 Cu24\n1.0\n0.000000 5.751440 -5.751440\n-5.751440 -5.751440 0.000000\n0.000000 5.751440 5.751440\nCo Cu La\n2 24 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.296348 0.000000 0.062087 Cu\n0.062087 0.358435 0.062087 Cu\n0.703652 0.765739 0.062087 Cu\n0.562087 0.000000 0.203652 Cu\n0.437913 0.641565 0.203652 Cu\n0.203652 0.765739 0.203652 Cu\n0.062087 0.000000 0.296348 Cu\n0.937913 0.234261 0.296348 Cu\n0.296348 0.358435 0.296348 Cu\n0.796348 0.000000 0.437913 Cu\n0.437913 0.234261 0.437913 Cu\n0.203652 0.641565 0.437913 Cu\n0.203652 0.000000 0.562087 Cu\n0.796348 0.358435 0.562087 Cu\n0.562087 0.765739 0.562087 Cu\n0.937913 0.000000 0.703652 Cu\n0.703652 0.641565 0.703652 Cu\n0.062087 0.765739 0.703652 Cu\n0.437913 0.000000 0.796348 Cu\n0.796348 0.234261 0.796348 Cu\n0.562087 0.358435 0.796348 Cu\n0.703652 0.000000 0.937913 Cu\n0.296348 0.234261 0.937913 Cu\n0.937913 0.641565 0.937913 Cu\n0.750000 0.500000 0.250000 La\n0.250000 0.500000 0.750000 La\n", "nsites": 28, "nelements": 3, "elements": [ "Co", "Cu", "La" ], "chemical_system": "Co-Cu-La", "density": 8.382378109999364, "density_atomic": 0.07358651831457064, "volume": 380.5044815451719, "volume_molar": 8.183755527413743, "formula_full": "La2 Co2 Cu24", "formula_reduced": "LaCoCu12", "formula_anonymous": "ABC12", "formation_energy": -0.0688921189285711, "spacegroup": 226 }, { "id": "oqmd-995699", "created_at": "2022-09-04T15:25:54.429258Z", "updated_at": "2022-09-04T15:25:54.429278Z", "structure_string": "Li1 Cd1 Bi1 Pd1\n1.0\n0.000000 3.393403 3.393403\n3.393403 0.000000 3.393403\n3.393403 3.393403 0.000000\nBi Cd Li Pd\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Cd\n0.750001 0.750001 0.750001 Li\n0.250000 0.250000 0.250000 Pd\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cd", "Li", "Pd" ], "chemical_system": "Bi-Cd-Li-Pd", "density": 9.237506810632107, "density_atomic": 0.05118275717793356, "volume": 78.15131932213534, "volume_molar": 11.76595613844017, "formula_full": "Li1 Cd1 Bi1 Pd1", "formula_reduced": "LiCdBiPd", "formula_anonymous": "ABCD", "formation_energy": -0.352350866249999, "spacegroup": 216 }, { "id": "oqmd-995698", "created_at": "2022-09-04T15:25:54.849719Z", "updated_at": "2022-09-04T15:25:54.849747Z", "structure_string": "Li1 Cd1 Bi1 Pd1\n1.0\n0.000000 3.439698 3.439698\n3.439698 0.000000 3.439698\n3.439698 3.439698 0.000000\nBi Cd Li Pd\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Cd\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Pd\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cd", "Li", "Pd" ], "chemical_system": "Bi-Cd-Li-Pd", "density": 8.869520632191191, "density_atomic": 0.04914383611383225, "volume": 81.39372739919547, "volume_molar": 12.254112084475596, "formula_full": "Li1 Cd1 Bi1 Pd1", "formula_reduced": "LiCdBiPd", "formula_anonymous": "ABCD", "formation_energy": -0.238005566249999, "spacegroup": 216 } ] }