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-22692", "created_at": "2022-09-04T14:45:20.247751Z", "structure_string": "Pb1\n1.0\n-2.002209 2.002209 2.002209\n2.002209 -2.002209 2.002209\n2.002209 2.002209 -2.002209\nPb\n1\ndirect\n0.000000 0.000000 0.000000 Pb\n", "nsites": 1, "nelements": 1, "elements": [ "Pb" ], "chemical_system": "Pb", "density": 10.716442290650697, "density_atomic": 0.031146681439680295, "volume": 32.10614915546086, "volume_molar": 19.334774947574047, "formula_full": "Pb1", "formula_reduced": "Pb", "formula_anonymous": "A", "energy": -3.66510887, "energy_per_atom": -3.66510887, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -3.66510887, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 0.0004736, "is_theoretical": false, "updated_at": "2021-11-28T01:36:53.844000Z", "spacegroup": 229 }, { "id": "mp-1096950", "created_at": "2022-09-04T14:45:54.814333Z", "structure_string": "Fe1\n1.0\n1.244977 -2.156364 0.000000\n1.244977 2.156364 0.000000\n0.000000 0.000000 2.393789\nFe\n1\ndirect\n0.000000 0.000000 0.000000 Fe\n", "nsites": 1, "nelements": 1, "elements": [ "Fe" ], "chemical_system": "Fe", "density": 7.214963345850613, "density_atomic": 0.07780378702116247, "volume": 12.852844807258572, "volume_molar": 7.740164059574619, "formula_full": "Fe1", "formula_reduced": "Fe", "formula_anonymous": "A", "energy": -7.99332179, "energy_per_atom": -7.99332179, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -7.99332179, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": true, "total_magnetization": 2.4667001, "is_theoretical": true, "updated_at": "2021-11-28T01:37:11.394000Z", "spacegroup": 191 }, { "id": "mp-166", "created_at": "2022-09-04T14:45:15.332479Z", "structure_string": "Ca1\n1.0\n-2.245020 2.245020 2.097502\n2.245020 -2.245020 2.097502\n2.245020 2.245020 -2.097502\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n", "nsites": 1, "nelements": 1, "elements": [ "Ca" ], "chemical_system": "Ca", "density": 1.5738101244536746, "density_atomic": 0.023648151360468182, "volume": 42.286603496274395, "volume_molar": 25.465587851687253, "formula_full": "Ca1", "formula_reduced": "Ca", "formula_anonymous": "A", "energy": -1.98438209, "energy_per_atom": -1.98438209, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -1.98438209, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 0.0002139, "is_theoretical": true, "updated_at": "2021-11-28T01:37:06.720000Z", "spacegroup": 139 }, { "id": "mp-8642", "created_at": "2022-09-04T14:45:19.151549Z", "structure_string": "Re1\n1.0\n0.000000 1.962476 1.962476\n1.962476 0.000000 1.962476\n1.962476 1.962476 0.000000\nRe\n1\ndirect\n0.000000 0.000000 0.000000 Re\n", "nsites": 1, "nelements": 1, "elements": [ "Re" ], "chemical_system": "Re", "density": 20.455120497629814, "density_atomic": 0.0661541268277012, "volume": 15.116214935532374, "volume_molar": 9.103197410019028, "formula_full": "Re1", "formula_reduced": "Re", "formula_anonymous": "A", "energy": -12.38177043, "energy_per_atom": -12.38177043, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -12.38177043, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 0.0003437, "is_theoretical": true, "updated_at": "2021-11-28T01:37:01.959000Z", "spacegroup": 225 }, { "id": "mp-12628", "created_at": "2022-09-04T14:45:54.824065Z", "structure_string": "Rb1\n1.0\n0.000000 3.568601 3.568601\n3.568601 0.000000 3.568601\n3.568601 3.568601 0.000000\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n", "nsites": 1, "nelements": 1, "elements": [ "Rb" ], "chemical_system": "Rb", "density": 1.5614484407092162, "density_atomic": 0.011002111090589649, "volume": 90.89164722716919, "volume_molar": 54.73622935102765, "formula_full": "Rb1", "formula_reduced": "Rb", "formula_anonymous": "A", "energy": -0.96519287, "energy_per_atom": -0.96519287, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -0.96519287, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 0.0022741, "is_theoretical": true, "updated_at": "2021-11-28T01:37:11.586000Z", "spacegroup": 225 }, { "id": "mp-8643", "created_at": "2022-09-04T14:45:09.701003Z", "structure_string": "Os1\n1.0\n0.000000 1.931726 1.931726\n1.931726 0.000000 1.931726\n1.931726 1.931726 0.000000\nOs\n1\ndirect\n0.000000 0.000000 0.000000 Os\n", "nsites": 1, "nelements": 1, "elements": [ "Os" ], "chemical_system": "Os", "density": 21.910966458732304, "density_atomic": 0.06936388805536671, "volume": 14.416723572383852, "volume_molar": 8.681953865090561, "formula_full": "Os1", "formula_reduced": "Os", "formula_anonymous": "A", "energy": -11.094008, "energy_per_atom": -11.094008, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -11.094008, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 0.0003331, "is_theoretical": true, "updated_at": "2021-11-28T01:36:49.661000Z", "spacegroup": 225 }, { "id": "mp-10023", "created_at": "2022-09-04T14:45:15.106703Z", "structure_string": "La1\n1.0\n-2.111814 2.111814 2.111814\n2.111814 -2.111814 2.111814\n2.111814 2.111814 -2.111814\nLa\n1\ndirect\n0.000000 0.000000 0.000000 La\n", "nsites": 1, "nelements": 1, "elements": [ "La" ], "chemical_system": "La", "density": 6.122678571967442, "density_atomic": 0.02654440620759267, "volume": 37.67272065456727, "volume_molar": 22.687042659396344, "formula_full": "La1", "formula_reduced": "La", "formula_anonymous": "A", "energy": -4.80249767, "energy_per_atom": -4.80249767, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -4.80249767, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": true, "total_magnetization": 0.6083648, "is_theoretical": false, "updated_at": "2021-11-28T01:36:58.084000Z", "spacegroup": 229 }, { "id": "mp-10750", "created_at": "2022-09-04T14:45:15.420176Z", "structure_string": "Dy1\n1.0\n0.000000 2.505869 2.505869\n2.505869 0.000000 2.505869\n2.505869 2.505869 0.000000\nDy\n1\ndirect\n0.500000 0.500000 0.500000 Dy\n", "nsites": 1, "nelements": 1, "elements": [ "Dy" ], "chemical_system": "Dy", "density": 8.574274371555358, "density_atomic": 0.03177568442966833, "volume": 31.470604581732307, "volume_molar": 18.952041059349284, "formula_full": "Dy1", "formula_reduced": "Dy", "formula_anonymous": "A", "energy": -4.58546351, "energy_per_atom": -4.58546351, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -4.58546351, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 0.0020972, "is_theoretical": false, "updated_at": "2021-11-28T01:37:06.404000Z", "spacegroup": 225 }, { "id": "mp-11421", "created_at": "2022-09-04T14:45:16.036298Z", "structure_string": "Gd1\n1.0\n-2.018432 2.018432 2.018432\n2.018432 -2.018432 2.018432\n2.018432 2.018432 -2.018432\nGd\n1\ndirect\n0.000000 0.000000 0.000000 Gd\n", "nsites": 1, "nelements": 1, "elements": [ "Gd" ], "chemical_system": "Gd", "density": 7.938480673033082, "density_atomic": 0.030401683974604583, "volume": 32.89291477522526, "volume_molar": 19.808576278309026, "formula_full": "Gd1", "formula_reduced": "Gd", "formula_anonymous": "A", "energy": -13.98852267, "energy_per_atom": -13.98852267, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -13.98852267, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": true, "total_magnetization": 7.6239299, "is_theoretical": false, "updated_at": "2021-11-28T01:37:05.046000Z", "spacegroup": 229 }, { "id": "mp-684663", "created_at": "2022-09-04T14:45:16.322623Z", "structure_string": "I1\n1.0\n-2.072254 2.072254 2.072254\n2.072254 -2.072254 2.072254\n2.072254 2.072254 -2.072254\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n", "nsites": 1, "nelements": 1, "elements": [ "I" ], "chemical_system": "I", "density": 5.920209370234598, "density_atomic": 0.02809383638617646, "volume": 35.59499622102337, "volume_molar": 21.435807759467085, "formula_full": "I1", "formula_reduced": "I", "formula_anonymous": "A", "energy": -1.07834603, "energy_per_atom": -1.07834603, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -1.07834603, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 0.0007851, "is_theoretical": false, "updated_at": "2021-11-28T01:37:01.599000Z", "spacegroup": 229 }, { "id": "mp-7761", "created_at": "2022-09-04T14:45:25.947961Z", "structure_string": "Sb1\n1.0\n-1.892661 1.892661 1.892661\n1.892661 -1.892661 1.892661\n1.892661 1.892661 -1.892661\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n", "nsites": 1, "nelements": 1, "elements": [ "Sb" ], "chemical_system": "Sb", "density": 7.455473759771788, "density_atomic": 0.036874106791514365, "volume": 27.119300967857598, "volume_molar": 16.33162477412427, "formula_full": "Sb1", "formula_reduced": "Sb", "formula_anonymous": "A", "energy": -3.8904761, "energy_per_atom": -3.8904761, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -3.8904761, "band_gap": 0.0, "is_gap_direct": false, "is_magnetic": false, "total_magnetization": 0.000108, "is_theoretical": false, "updated_at": "2021-11-28T01:37:00.477000Z", "spacegroup": 229 }, { "id": "mp-23155", "created_at": "2022-09-04T14:46:23.799344Z", "structure_string": "Ar1\n1.0\n0.000000 2.820386 2.820386\n2.820386 0.000000 2.820386\n2.820386 2.820386 0.000000\nAr\n1\ndirect\n0.000000 0.000000 0.000000 Ar\n", "nsites": 1, "nelements": 1, "elements": [ "Ar" ], "chemical_system": "Ar", "density": 1.4783882163665782, "density_atomic": 0.02228662746560924, "volume": 44.86995627952735, "volume_molar": 27.021319261035963, "formula_full": "Ar1", "formula_reduced": "Ar", "formula_anonymous": "A", "energy": -0.06880822, "energy_per_atom": -0.06880822, "energy_above_hull": null, "is_stable": null, "decomposes_to": null, "formation_energy": null, "formation_energy_per_atom": null, "energy_uncorrected": -0.06880822, "band_gap": 8.5132, "is_gap_direct": true, "is_magnetic": false, "total_magnetization": 0.0, "is_theoretical": false, "updated_at": "2021-11-28T01:37:36.260000Z", "spacegroup": 225 } ] }