Matproj Structure
GET /third-parties/MatprojStructure/?format=api&ordering=nsites
{ "count": 146323, "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=2", "previous": null, "results": [ { "id": "mp-37", "created_at": "2022-09-04T14:40:33.894069Z", "structure_string": "Th1\n1.0\n0.000000 2.520609 2.520609\n2.520609 0.000000 2.520609\n2.520609 2.520609 0.000000\nTh\n1\ndirect\n0.000000 0.000000 0.000000 Th\n", "nsites": 1, "nelements": 1, "elements": [ "Th" ], "chemical_system": "Th", "density": 12.029896193298868, "density_atomic": 0.03122148505692111, "volume": 32.02922596977245, "volume_molar": 19.288450722381718, "formula_full": "Th1", "formula_reduced": "Th", "formula_anonymous": "A", "energy": -7.41385825, "energy_per_atom": -7.41385825, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -7.41385825, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 0.0007407, "is_theoretical": false, "updated_at": "2021-11-28T01:34:57.348000Z", "spacegroup": 225 }, { "id": "mp-10660", "created_at": "2022-09-04T14:41:03.979800Z", "structure_string": "Tm1\n1.0\n0.000000 2.466474 2.466474\n2.466474 0.000000 2.466474\n2.466474 2.466474 0.000000\nTm\n1\ndirect\n0.000000 0.000000 0.000000 Tm\n", "nsites": 1, "nelements": 1, "elements": [ "Tm" ], "chemical_system": "Tm", "density": 9.347749844983595, "density_atomic": 0.03332271502332962, "volume": 30.009559524183082, "volume_molar": 18.072179160022916, "formula_full": "Tm1", "formula_reduced": "Tm", "formula_anonymous": "A", "energy": -4.44439962, "energy_per_atom": -4.44439962, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -4.44439962, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 0.0011077, "is_theoretical": false, "updated_at": "2021-11-28T01:34:59.174000Z", "spacegroup": 225 }, { "id": "mp-10654", "created_at": "2022-09-04T14:40:09.085617Z", "structure_string": "Te1\n1.0\n3.197462 0.000000 0.000000\n0.000000 3.197462 0.000000\n0.000000 0.000000 3.197462\nTe\n1\ndirect\n0.500000 0.500000 0.500000 Te\n", "nsites": 1, "nelements": 1, "elements": [ "Te" ], "chemical_system": "Te", "density": 6.481620453792556, "density_atomic": 0.030590306221883155, "volume": 32.69009446151401, "volume_molar": 19.686435030493374, "formula_full": "Te1", "formula_reduced": "Te", "formula_anonymous": "A", "energy": -3.09675431, "energy_per_atom": -3.09675431, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -3.09675431, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 0.0001527, "is_theoretical": true, "updated_at": "2021-11-28T01:34:47.250000Z", "spacegroup": 221 }, { "id": "mp-8638", "created_at": "2022-09-04T14:40:30.936168Z", "structure_string": "Tc1\n1.0\n0.000000 1.942519 1.942519\n1.942519 0.000000 1.942519\n1.942519 1.942519 0.000000\nTc\n1\ndirect\n0.000000 0.000000 0.000000 Tc\n", "nsites": 1, "nelements": 1, "elements": [ "Tc" ], "chemical_system": "Tc", "density": 11.100674069024633, "density_atomic": 0.06821410387515324, "volume": 14.659724942369971, "volume_molar": 8.828292710583487, "formula_full": "Tc1", "formula_reduced": "Tc", "formula_anonymous": "A", "energy": -10.29376611, "energy_per_atom": -10.29376611, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -10.29376611, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 9.19e-05, "is_theoretical": true, "updated_at": "2021-11-28T01:34:58Z", "spacegroup": 225 }, { "id": "mp-10024", "created_at": "2022-09-04T14:40:53.930711Z", "structure_string": "Ce1\n1.0\n-1.887976 1.887976 1.887976\n1.887976 -1.887976 1.887976\n1.887976 1.887976 -1.887976\nCe\n1\ndirect\n0.000000 0.000000 0.000000 Ce\n", "nsites": 1, "nelements": 1, "elements": [ "Ce" ], "chemical_system": "Ce", "density": 8.643456071208345, "density_atomic": 0.037149297105028206, "volume": 26.918409712377805, "volume_molar": 16.21064523232903, "formula_full": "Ce1", "formula_reduced": "Ce", "formula_anonymous": "A", "energy": -5.70483875, "energy_per_atom": -5.70483875, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -5.70483875, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": true, "total_magnetization": 0.2594113, "is_theoretical": false, "updated_at": "2021-11-28T01:35:00.149000Z", "spacegroup": 229 }, { "id": "mp-101", "created_at": "2022-09-04T14:40:55.109337Z", "structure_string": "Ir1\n1.0\n0.000000 1.937864 1.937864\n1.937864 0.000000 1.937864\n1.937864 1.937864 0.000000\nIr\n1\ndirect\n0.000000 0.000000 0.000000 Ir\n", "nsites": 1, "nelements": 1, "elements": [ "Ir" ], "chemical_system": "Ir", "density": 21.930120199359056, "density_atomic": 0.06870686295691784, "volume": 14.554586790362457, "volume_molar": 8.764977035519932, "formula_full": "Ir1", "formula_reduced": "Ir", "formula_anonymous": "A", "energy": -8.83843042, "energy_per_atom": -8.83843042, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -8.83843042, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 0.0003236, "is_theoretical": false, "updated_at": "2021-11-28T01:34:58.648000Z", "spacegroup": 225 }, { "id": "mp-974920", "created_at": "2022-09-04T14:40:05.491017Z", "structure_string": "Na1\n1.0\n-1.835922 1.835922 2.748327\n1.835922 -1.835922 2.748327\n1.835922 1.835922 -2.748327\nNa\n1\ndirect\n0.000000 0.000000 0.000000 Na\n", "nsites": 1, "nelements": 1, "elements": [ "Na" ], "chemical_system": "Na", "density": 1.0302600564047593, "density_atomic": 0.026987530869292384, "volume": 37.05414937154716, "volume_molar": 22.314530325752255, "formula_full": "Na1", "formula_reduced": "Na", "formula_anonymous": "A", "energy": -1.31001461, "energy_per_atom": -1.31001461, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -1.31001461, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 0.0070025, "is_theoretical": true, "updated_at": "2021-11-28T01:34:46.212000Z", "spacegroup": 139 }, { "id": "mp-1063988", "created_at": "2022-09-04T14:40:05.531640Z", "structure_string": "S1\n1.0\n-1.580627 1.580627 1.580627\n1.580627 -1.580627 1.580627\n1.580627 1.580627 -1.580627\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n", "nsites": 1, "nelements": 1, "elements": [ "S" ], "chemical_system": "S", "density": 3.3707936084368693, "density_atomic": 0.06330701259918974, "volume": 15.796038368311807, "volume_molar": 9.512596650433442, "formula_full": "S1", "formula_reduced": "S", "formula_anonymous": "A", "energy": -2.99896608, "energy_per_atom": -2.99896608, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -2.99896608, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 0.0038525, "is_theoretical": true, "updated_at": "2021-11-28T01:34:48.605000Z", "spacegroup": 229 }, { "id": "mp-567597", "created_at": "2022-09-04T14:39:58.656232Z", "structure_string": "Bi1\n1.0\n3.277897 0.000000 0.000000\n0.000000 3.277897 0.000000\n0.000000 0.000000 3.277897\nBi\n1\ndirect\n0.500000 0.500000 0.500000 Bi\n", "nsites": 1, "nelements": 1, "elements": [ "Bi" ], "chemical_system": "Bi", "density": 9.853005953205109, "density_atomic": 0.028393183657330765, "volume": 35.21972076357181, "volume_molar": 21.20981159661241, "formula_full": "Bi1", "formula_reduced": "Bi", "formula_anonymous": "A", "energy": -3.84048913, "energy_per_atom": -3.84048913, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -3.84048913, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 0.000492, "is_theoretical": false, "updated_at": "2021-11-28T01:34:42.383000Z", "spacegroup": 221 }, { "id": "mp-10630", "created_at": "2022-09-04T14:40:20.720922Z", "structure_string": "Sb1\n1.0\n0.000000 2.395458 2.395458\n2.395458 0.000000 2.395458\n2.395458 2.395458 0.000000\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n", "nsites": 1, "nelements": 1, "elements": [ "Sb" ], "chemical_system": "Sb", "density": 7.3545830945847275, "density_atomic": 0.03637511057983855, "volume": 27.491325361200825, "volume_molar": 16.55566310041092, "formula_full": "Sb1", "formula_reduced": "Sb", "formula_anonymous": "A", "energy": -3.8006478, "energy_per_atom": -3.8006478, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -3.8006478, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 0.0001357, "is_theoretical": false, "updated_at": "2021-11-28T01:34:50.829000Z", "spacegroup": 225 }, { "id": "mp-1183542", "created_at": "2022-09-04T14:40:41.057935Z", "structure_string": "Cd1\n1.0\n2.639985 -1.643321 0.000000\n2.639985 1.643321 0.000000\n1.617061 0.000000 2.656151\nCd\n1\ndirect\n0.000000 0.000000 0.000000 Cd\n", "nsites": 1, "nelements": 1, "elements": [ "Cd" ], "chemical_system": "Cd", "density": 8.099370911607961, "density_atomic": 0.04339037257386594, "volume": 23.046587080985354, "volume_molar": 13.878979143929135, "formula_full": "Cd1", "formula_reduced": "Cd", "formula_anonymous": "A", "energy": -0.90473076, "energy_per_atom": -0.90473076, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -0.90473076, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 9.6e-06, "is_theoretical": true, "updated_at": "2021-11-28T01:35:06.623000Z", "spacegroup": 166 }, { "id": "mp-1180981", "created_at": "2022-09-04T14:41:03.989835Z", "structure_string": "I1\n1.0\n0.000000 2.390326 4.415368\n2.182730 0.000000 4.415368\n2.182730 2.390326 0.000000\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n", "nsites": 1, "nelements": 1, "elements": [ "I" ], "chemical_system": "I", "density": 4.5737451578813175, "density_atomic": 0.02170430809147089, "volume": 46.073802297018105, "volume_molar": 27.746292278105436, "formula_full": "I1", "formula_reduced": "I", "formula_anonymous": "A", "energy": -1.40693406, "energy_per_atom": -1.40693406, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -1.40693406, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 0.0011815, "is_theoretical": true, "updated_at": "2021-11-28T01:35:13.706000Z", "spacegroup": 69 } ] }