HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=114",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=112",
"results": [
{
"id": "mp-1517146",
"created_at": "2022-09-04T14:48:17.845177Z",
"structure_string": "Na1 Nd1 Zr1 Ti1 O6\n1.0\n-0.000000 -4.019256 -4.019256\n4.019256 -0.000000 -4.019256\n4.019256 -4.019256 -0.000000\nNa Nd Zr Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Zr\n0.000000 -0.000000 0.000000 Ti\n0.758235 0.241765 0.241765 O\n0.241765 0.758235 0.758235 O\n0.758235 0.241765 0.758235 O\n0.241765 0.758235 0.241765 O\n0.758235 0.758235 0.241765 O\n0.241765 0.241765 0.758235 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Nd",
"Zr",
"Ti",
"O"
],
"chemical_system": "Na-Nd-O-Ti-Zr",
"density": 5.144614309923973,
"density_atomic": 0.0770074953088226,
"volume": 129.8574893248647,
"volume_molar": 7.8202007945453245,
"formula_full": "Na1 Nd1 Zr1 Ti1 O6",
"formula_reduced": "NaNdZrTiO6",
"formula_anonymous": "ABCDE6",
"energy": -85.5972142,
"energy_per_atom": -8.559721419999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.47521420000001,
"band_gap": 2.1492000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:50.637000Z",
"spacegroup": 216
},
{
"id": "mp-1521570",
"created_at": "2022-09-04T14:46:08.439933Z",
"structure_string": "Sr1 Zr1 Nb1 In1 O6\n1.0\n-0.000000 -4.148814 -4.148814\n4.148814 -0.000000 -4.148814\n4.148814 -4.148814 0.000000\nSr Zr Nb In O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 In\n0.756053 0.243947 0.243947 O\n0.243947 0.756053 0.756053 O\n0.756053 0.243947 0.756053 O\n0.243947 0.756053 0.243947 O\n0.756053 0.756053 0.243947 O\n0.243947 0.243947 0.756053 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Zr",
"Nb",
"In",
"O"
],
"chemical_system": "In-Nb-O-Sr-Zr",
"density": 5.6105163036916945,
"density_atomic": 0.07001613115814725,
"volume": 142.82422971090392,
"volume_molar": 8.601076152576375,
"formula_full": "Sr1 Zr1 Nb1 In1 O6",
"formula_reduced": "SrZrNbInO6",
"formula_anonymous": "ABCDE6",
"energy": -82.71359837999998,
"energy_per_atom": -8.271359837999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.59159838,
"band_gap": 0.5707000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.700000Z",
"spacegroup": 216
},
{
"id": "mp-1517057",
"created_at": "2022-09-04T14:46:08.911519Z",
"structure_string": "K1 Sr1 Sm1 W1 O6\n1.0\n-0.000000 -4.247153 -4.247153\n4.247153 0.000000 -4.247153\n4.247153 -4.247153 0.000000\nK Sr Sm W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 W\n0.729975 0.270025 0.270025 O\n0.270025 0.729975 0.729975 O\n0.729975 0.270025 0.729975 O\n0.270025 0.729975 0.270025 O\n0.729975 0.729975 0.270025 O\n0.270025 0.270025 0.729975 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"Sm",
"W",
"O"
],
"chemical_system": "K-O-Sm-Sr-W",
"density": 6.035511255503668,
"density_atomic": 0.0652643903128577,
"volume": 153.2229130167773,
"volume_molar": 9.227299498442694,
"formula_full": "K1 Sr1 Sm1 W1 O6",
"formula_reduced": "KSrSmWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.08301753,
"energy_per_atom": -7.908301753000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.52301753,
"band_gap": 2.8665000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.758000Z",
"spacegroup": 216
},
{
"id": "mp-1519627",
"created_at": "2022-09-04T14:40:15.639300Z",
"structure_string": "K1 Sr1 Pr1 Mn1 O6\n1.0\n0.000000 -4.234278 -4.234278\n4.234278 0.000000 -4.234278\n4.234278 -4.234278 0.000000\nK Sr Pr Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Pr\n-0.000000 -0.000000 -0.000000 Mn\n0.774908 0.225092 0.225092 O\n0.225092 0.774908 0.774908 O\n0.774908 0.225092 0.774908 O\n0.225092 0.774908 0.225092 O\n0.774908 0.774908 0.225092 O\n0.225092 0.225092 0.774908 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"Pr",
"Mn",
"O"
],
"chemical_system": "K-Mn-O-Pr-Sr",
"density": 4.577613589580675,
"density_atomic": 0.06586154285063277,
"volume": 151.8336736003737,
"volume_molar": 9.143637545293462,
"formula_full": "K1 Sr1 Pr1 Mn1 O6",
"formula_reduced": "KSrPrMnO6",
"formula_anonymous": "ABCDE6",
"energy": -69.48409771,
"energy_per_atom": -6.948409771,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.69409771,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.172000Z",
"spacegroup": 216
},
{
"id": "mp-1522191",
"created_at": "2022-09-04T14:40:34.808584Z",
"structure_string": "K1 Tb1 Pr1 Nb1 O6\n1.0\n0.000000 -4.220808 -4.220808\n4.220808 0.000000 -4.220808\n4.220808 -4.220808 -0.000000\nK Tb Pr Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Tb\n0.250000 0.250000 0.250000 Pr\n-0.000000 0.000000 0.000000 Nb\n0.762830 0.237170 0.237170 O\n0.237170 0.762830 0.762830 O\n0.762830 0.237170 0.762830 O\n0.237170 0.762830 0.237170 O\n0.762830 0.762830 0.237170 O\n0.237170 0.237170 0.762830 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Tb",
"Pr",
"Nb",
"O"
],
"chemical_system": "K-Nb-O-Pr-Tb",
"density": 5.828136812911709,
"density_atomic": 0.06649411547663078,
"volume": 150.38924765477148,
"volume_molar": 9.056652181675338,
"formula_full": "K1 Tb1 Pr1 Nb1 O6",
"formula_reduced": "KTbPrNbO6",
"formula_anonymous": "ABCDE6",
"energy": -81.93309398,
"energy_per_atom": -8.193309398,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.81109398,
"band_gap": 2.3999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.930000Z",
"spacegroup": 216
},
{
"id": "mp-1516329",
"created_at": "2022-09-04T14:40:36.945476Z",
"structure_string": "Na1 Ca1 Zr1 Sb1 O6\n1.0\n0.000000 -4.061861 -4.061861\n4.061861 0.000000 -4.061861\n4.061861 -4.061861 0.000000\nNa Ca Zr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sb\n0.756136 0.243864 0.243864 O\n0.243864 0.756136 0.756136 O\n0.756136 0.243864 0.756136 O\n0.243864 0.756136 0.243864 O\n0.756136 0.756136 0.243864 O\n0.243864 0.243864 0.756136 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Zr",
"Sb",
"O"
],
"chemical_system": "Ca-Na-O-Sb-Zr",
"density": 4.609386243665258,
"density_atomic": 0.07460962068398688,
"volume": 134.03097225699008,
"volume_molar": 8.071533811312491,
"formula_full": "Na1 Ca1 Zr1 Sb1 O6",
"formula_reduced": "NaCaZrSbO6",
"formula_anonymous": "ABCDE6",
"energy": -73.50542081,
"energy_per_atom": -7.350542081,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.38342081,
"band_gap": 3.3831,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004537,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.157000Z",
"spacegroup": 216
},
{
"id": "mp-1519654",
"created_at": "2022-09-04T14:48:17.616680Z",
"structure_string": "Ba1 Ca1 Eu1 Fe1 O6\n1.0\n0.000000 -4.099661 -4.099661\n4.099661 0.000000 -4.099661\n4.099661 -4.099661 0.000000\nBa Ca Eu Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n-0.000000 0.000000 -0.000000 Ca\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Fe\n0.728396 0.271604 0.271604 O\n0.271604 0.728396 0.728396 O\n0.728396 0.271604 0.728396 O\n0.271604 0.728396 0.271604 O\n0.728396 0.728396 0.271604 O\n0.271604 0.271604 0.728396 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Eu",
"Fe",
"O"
],
"chemical_system": "Ba-Ca-Eu-Fe-O",
"density": 5.798427977280528,
"density_atomic": 0.0725648271067555,
"volume": 137.8078112869787,
"volume_molar": 8.298980373977026,
"formula_full": "Ba1 Ca1 Eu1 Fe1 O6",
"formula_reduced": "BaCaEuFeO6",
"formula_anonymous": "ABCDE6",
"energy": -76.43068258,
"energy_per_atom": -7.643068258,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.05268258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:53.887000Z",
"spacegroup": 216
},
{
"id": "mp-1522543",
"created_at": "2022-09-04T14:46:22.671665Z",
"structure_string": "Ba2 Ce2 Eu2 Sb2 O12\n1.0\n6.009017 -0.024855 -0.012296\n-0.029817 6.109496 -0.006693\n-0.023222 -0.014921 8.567985\nBa Ce Eu Sb O\n2 2 2 2 12\ndirect\n0.511296 0.539286 0.249470 Ba\n0.488704 0.460714 0.750530 Ba\n-0.000000 0.500000 -0.000000 Ce\n0.500000 -0.000000 0.500000 Ce\n0.988854 0.044986 0.251605 Eu\n0.011146 0.955014 0.748395 Eu\n0.500000 -0.000000 -0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.217160 0.193343 0.954501 O\n0.273429 0.705158 0.542533 O\n0.782840 0.806657 0.045499 O\n0.726571 0.294842 0.457467 O\n0.297981 0.725355 0.957419 O\n0.191060 0.214745 0.543916 O\n0.702019 0.274645 0.042581 O\n0.808940 0.785255 0.456084 O\n0.407982 0.989018 0.238041 O\n0.072782 0.475144 0.261807 O\n0.592018 0.010982 0.761959 O\n0.927218 0.524856 0.738193 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Ce",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ba-Ce-Eu-O-Sb",
"density": 6.8330963322283855,
"density_atomic": 0.06358497398576553,
"volume": 314.53972135739656,
"volume_molar": 9.471012383127102,
"formula_full": "Ba2 Ce2 Eu2 Sb2 O12",
"formula_reduced": "BaCeEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -163.41875039999996,
"energy_per_atom": -8.170937519999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.1747504,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.7690305,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.475000Z",
"spacegroup": 2
},
{
"id": "mp-1517512",
"created_at": "2022-09-04T14:46:10.044292Z",
"structure_string": "Eu1 Nb1 Fe1 Sn1 O6\n1.0\n0.000000 -4.020891 -4.020891\n4.020891 0.000000 -4.020891\n4.020891 -4.020891 -0.000000\nEu Nb Fe Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Nb\n-0.000000 -0.000000 0.000000 Fe\n0.750000 0.750000 0.750000 Sn\n0.749580 0.250420 0.250420 O\n0.250420 0.749580 0.749580 O\n0.749580 0.250420 0.749580 O\n0.250420 0.749580 0.250420 O\n0.749580 0.749580 0.250420 O\n0.250420 0.250420 0.749580 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Eu",
"Nb",
"Fe",
"Sn",
"O"
],
"chemical_system": "Eu-Fe-Nb-O-Sn",
"density": 6.582865284881158,
"density_atomic": 0.07691359368510113,
"volume": 130.0160286482244,
"volume_molar": 7.829748255757999,
"formula_full": "Eu1 Nb1 Fe1 Sn1 O6",
"formula_reduced": "EuNbFeSnO6",
"formula_anonymous": "ABCDE6",
"energy": -86.89228422,
"energy_per_atom": -8.689228422,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.51428422,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.7482244,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.391000Z",
"spacegroup": 216
},
{
"id": "mp-1523185",
"created_at": "2022-09-04T14:41:50.721407Z",
"structure_string": "K4 Sr4 Ce4 Bi4 O24\n1.0\n8.620879 0.000000 0.000000\n0.000000 8.641827 0.000000\n0.000000 0.000000 8.641103\nK Sr Ce Bi O\n4 4 4 4 24\ndirect\n0.500000 -0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n-0.000000 0.500000 -0.000000 K\n-0.000000 -0.000000 0.500000 K\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 -0.000000 Sr\n-0.000000 -0.000000 -0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Ce\n0.750000 0.750000 0.250000 Ce\n0.750000 0.250000 0.750000 Ce\n0.250000 0.750000 0.750000 Ce\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.995240 0.222177 0.272994 O\n0.004760 0.777823 0.272994 O\n0.004760 0.222177 0.727006 O\n0.995240 0.777823 0.727006 O\n0.275145 0.993441 0.207366 O\n0.275145 0.006559 0.792634 O\n0.724855 0.006559 0.207366 O\n0.724855 0.993441 0.792634 O\n0.219871 0.265030 0.995463 O\n0.780129 0.265030 0.004537 O\n0.219871 0.734970 0.004537 O\n0.780129 0.734970 0.995463 O\n0.504760 0.277823 0.227006 O\n0.495240 0.722177 0.227006 O\n0.495240 0.277823 0.772994 O\n0.504760 0.722177 0.772994 O\n0.224855 0.506559 0.292634 O\n0.224855 0.493441 0.707366 O\n0.775145 0.493441 0.292634 O\n0.775145 0.506559 0.707366 O\n0.280129 0.234970 0.504537 O\n0.719871 0.234970 0.495463 O\n0.280129 0.765030 0.495463 O\n0.719871 0.765030 0.504537 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Sr",
"Ce",
"Bi",
"O"
],
"chemical_system": "Bi-Ce-K-O-Sr",
"density": 5.8997739382978756,
"density_atomic": 0.062134626489215604,
"volume": 643.7634256470923,
"volume_molar": 9.69208491346646,
"formula_full": "K4 Sr4 Ce4 Bi4 O24",
"formula_reduced": "KSrCeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -273.47044973,
"energy_per_atom": -6.83676124325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -256.98244973,
"band_gap": 1.6021,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.236000Z",
"spacegroup": 48
},
{
"id": "mp-1522800",
"created_at": "2022-09-04T14:42:08.328675Z",
"structure_string": "Ca1 Eu1 Hf1 W1 O6\n1.0\n0.000000 -4.096094 -4.096094\n4.096094 -0.000000 -4.096094\n4.096094 -4.096094 0.000000\nCa Eu Hf W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 W\n0.749941 0.250059 0.250059 O\n0.250059 0.749941 0.749941 O\n0.749941 0.250059 0.749941 O\n0.250059 0.749941 0.250059 O\n0.749941 0.749941 0.250059 O\n0.250059 0.250059 0.749941 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Eu",
"Hf",
"W",
"O"
],
"chemical_system": "Ca-Eu-Hf-O-W",
"density": 7.85721776215935,
"density_atomic": 0.07275456704545862,
"volume": 137.4484160389792,
"volume_molar": 8.277337086257743,
"formula_full": "Ca1 Eu1 Hf1 W1 O6",
"formula_reduced": "CaEuHfWO6",
"formula_anonymous": "ABCDE6",
"energy": -95.30291236,
"energy_per_atom": -9.530291236,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.74291236,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9999987,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.053000Z",
"spacegroup": 216
},
{
"id": "mp-1519169",
"created_at": "2022-09-04T14:41:04.239457Z",
"structure_string": "Sr1 Ca1 La1 Bi1 O6\n1.0\n0.000000 -4.270621 -4.270621\n4.270621 0.000000 -4.270621\n4.270621 -4.270621 -0.000000\nSr Ca La Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 La\n-0.000000 0.000000 0.000000 Bi\n0.756322 0.243678 0.243678 O\n0.243678 0.756322 0.756322 O\n0.756322 0.243678 0.756322 O\n0.243678 0.756322 0.243678 O\n0.756322 0.756322 0.243678 O\n0.243678 0.243678 0.756322 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"La",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-La-O-Sr",
"density": 6.09288859229532,
"density_atomic": 0.06419436547465279,
"volume": 155.77691166600144,
"volume_molar": 9.381104892107468,
"formula_full": "Sr1 Ca1 La1 Bi1 O6",
"formula_reduced": "SrCaLaBiO6",
"formula_anonymous": "ABCDE6",
"energy": -68.14445446,
"energy_per_atom": -6.814445446000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.02245446,
"band_gap": 2.2594,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.677000Z",
"spacegroup": 216
}
]
}