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=74",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=72",
"results": [
{
"id": "mp-1518582",
"created_at": "2022-09-04T14:45:05.972223Z",
"structure_string": "Sr2 Ca2 Nd2 Sb2 O12\n1.0\n5.900871 0.000000 0.000000\n0.000000 5.900871 0.000000\n0.000000 0.000000 8.571544\nSr Ca Nd Sb O\n2 2 2 2 12\ndirect\n0.500000 -0.000000 0.250000 Sr\n0.000000 0.500000 0.750000 Sr\n0.000000 0.500000 0.250000 Ca\n0.500000 0.000000 0.750000 Ca\n-0.000000 -0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.000000 -0.000000 0.500000 Sb\n0.500000 0.500000 -0.000000 Sb\n-0.000000 0.000000 0.266261 O\n0.500000 0.500000 0.233739 O\n-0.000000 0.000000 0.733739 O\n0.500000 0.500000 0.766261 O\n0.345104 0.195870 0.990014 O\n0.654896 0.804130 0.990014 O\n0.804130 0.345104 0.009986 O\n0.195870 0.654896 0.009986 O\n0.845104 0.304130 0.490014 O\n0.154896 0.695870 0.490014 O\n0.304130 0.154896 0.509986 O\n0.695870 0.845104 0.509986 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Nd",
"Sb",
"O"
],
"chemical_system": "Ca-Nd-O-Sb-Sr",
"density": 5.448973609230776,
"density_atomic": 0.06700985770704655,
"volume": 298.46354975764797,
"volume_molar": 8.9869475418491,
"formula_full": "Sr2 Ca2 Nd2 Sb2 O12",
"formula_reduced": "SrCaNdSbO6",
"formula_anonymous": "ABCDE6",
"energy": -143.81835529,
"energy_per_atom": -7.1909177645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.57435529,
"band_gap": 3.2361,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.465000Z",
"spacegroup": 118
},
{
"id": "mp-1517680",
"created_at": "2022-09-04T14:47:03.969598Z",
"structure_string": "K1 Nd1 Dy1 Sb1 O6\n1.0\n-0.000000 -4.173271 -4.173271\n4.173271 0.000000 -4.173271\n4.173271 -4.173271 0.000000\nK Nd Dy Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Nd\n-0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Sb\n0.737566 0.262434 0.262434 O\n0.262434 0.737566 0.737566 O\n0.737566 0.262434 0.737566 O\n0.262434 0.737566 0.262434 O\n0.737566 0.737566 0.262434 O\n0.262434 0.262434 0.737566 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Nd",
"Dy",
"Sb",
"O"
],
"chemical_system": "Dy-K-Nd-O-Sb",
"density": 6.43810093287107,
"density_atomic": 0.06879236528218738,
"volume": 145.36496832140952,
"volume_molar": 8.75408300804469,
"formula_full": "K1 Nd1 Dy1 Sb1 O6",
"formula_reduced": "KNdDySbO6",
"formula_anonymous": "ABCDE6",
"energy": -72.48438492,
"energy_per_atom": -7.248438492,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.36238492,
"band_gap": 3.1776,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.378000Z",
"spacegroup": 216
},
{
"id": "mp-1521753",
"created_at": "2022-09-04T14:42:48.321890Z",
"structure_string": "Na1 Pr1 Y1 Sb1 O6\n1.0\n0.000000 -4.157431 -4.157431\n4.157431 -0.000000 -4.157431\n4.157431 -4.157431 0.000000\nNa Pr Y Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Y\n-0.000000 -0.000000 -0.000000 Sb\n0.762510 0.237490 0.237490 O\n0.237490 0.762510 0.762510 O\n0.762510 0.237490 0.762510 O\n0.237490 0.762510 0.237490 O\n0.762510 0.762510 0.237490 O\n0.237490 0.237490 0.762510 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Pr",
"Y",
"Sb",
"O"
],
"chemical_system": "Na-O-Pr-Sb-Y",
"density": 5.436991493943574,
"density_atomic": 0.06958167101074501,
"volume": 143.71600817772497,
"volume_molar": 8.65478030711571,
"formula_full": "Na1 Pr1 Y1 Sb1 O6",
"formula_reduced": "NaPrYSbO6",
"formula_anonymous": "ABCDE6",
"energy": -74.26479125,
"energy_per_atom": -7.426479125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.14279125,
"band_gap": 3.2822,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.445000Z",
"spacegroup": 216
},
{
"id": "mp-1516484",
"created_at": "2022-09-04T14:46:00.309773Z",
"structure_string": "K1 La1 Ce1 Sn1 O6\n1.0\n0.000000 -4.259835 -4.259835\n4.259835 0.000000 -4.259835\n4.259835 -4.259835 0.000000\nK La Ce Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Sn\n0.741848 0.258152 0.258152 O\n0.258152 0.741848 0.741848 O\n0.741848 0.258152 0.741848 O\n0.258152 0.741848 0.258152 O\n0.741848 0.741848 0.258152 O\n0.258152 0.258152 0.741848 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"La",
"Ce",
"Sn",
"O"
],
"chemical_system": "Ce-K-La-O-Sn",
"density": 5.723033874871225,
"density_atomic": 0.06468322601465518,
"volume": 154.599586571862,
"volume_molar": 9.310204717735589,
"formula_full": "K1 La1 Ce1 Sn1 O6",
"formula_reduced": "KLaCeSnO6",
"formula_anonymous": "ABCDE6",
"energy": -74.53927646,
"energy_per_atom": -7.4539276459999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.41727646,
"band_gap": 2.091,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.727000Z",
"spacegroup": 216
},
{
"id": "mp-1522188",
"created_at": "2022-09-04T14:42:27.493634Z",
"structure_string": "Sm1 Eu1 Ti1 Nb1 O6\n1.0\n-0.000000 -4.001144 -4.001144\n4.001144 0.000000 -4.001144\n4.001144 -4.001144 -0.000000\nSm Eu Ti Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Ti\n-0.000000 -0.000000 -0.000000 Nb\n0.746197 0.253803 0.253803 O\n0.253803 0.746197 0.746197 O\n0.746197 0.253803 0.746197 O\n0.253803 0.746197 0.253803 O\n0.746197 0.746197 0.253803 O\n0.253803 0.253803 0.746197 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sm",
"Eu",
"Ti",
"Nb",
"O"
],
"chemical_system": "Eu-Nb-O-Sm-Ti",
"density": 6.987645715214923,
"density_atomic": 0.07805800707360654,
"volume": 128.1098554126584,
"volume_molar": 7.714955820382768,
"formula_full": "Sm1 Eu1 Ti1 Nb1 O6",
"formula_reduced": "SmEuTiNbO6",
"formula_anonymous": "ABCDE6",
"energy": -95.17648523,
"energy_per_atom": -9.517648523,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.05448523,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.2271838,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.352000Z",
"spacegroup": 216
},
{
"id": "mp-1516715",
"created_at": "2022-09-04T14:48:24.610668Z",
"structure_string": "Ba1 Ca1 Mn1 W1 O6\n1.0\n-0.000000 -4.107425 -4.107425\n4.107425 -0.000000 -4.107425\n4.107425 -4.107425 0.000000\nBa Ca Mn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 W\n0.737325 0.262675 0.262675 O\n0.262675 0.737325 0.737325 O\n0.737325 0.262675 0.737325 O\n0.262675 0.737325 0.262675 O\n0.737325 0.737325 0.262675 O\n0.262675 0.262675 0.737325 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Mn",
"W",
"O"
],
"chemical_system": "Ba-Ca-Mn-O-W",
"density": 6.136663654426655,
"density_atomic": 0.07215411062914573,
"volume": 138.5922425320648,
"volume_molar": 8.346219927721531,
"formula_full": "Ba1 Ca1 Mn1 W1 O6",
"formula_reduced": "BaCaMnWO6",
"formula_anonymous": "ABCDE6",
"energy": -82.43618466,
"energy_per_atom": -8.243618466,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.20818466,
"band_gap": 1.8852,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:07.876000Z",
"spacegroup": 216
},
{
"id": "mp-1518397",
"created_at": "2022-09-04T14:41:45.411145Z",
"structure_string": "Ba1 Li1 Hf1 Bi1 O6\n1.0\n0.000000 -4.186790 -4.186790\n4.186790 0.000000 -4.186790\n4.186790 -4.186790 0.000000\nBa Li Hf Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Bi\n0.747112 0.252888 0.252888 O\n0.252888 0.747112 0.747112 O\n0.747112 0.252888 0.747112 O\n0.252888 0.747112 0.252888 O\n0.747112 0.747112 0.252888 O\n0.252888 0.252888 0.747112 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Li",
"Hf",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Hf-Li-O",
"density": 7.101527492390601,
"density_atomic": 0.06812813019919428,
"volume": 146.78224649292173,
"volume_molar": 8.83943349449391,
"formula_full": "Ba1 Li1 Hf1 Bi1 O6",
"formula_reduced": "BaLiHfBiO6",
"formula_anonymous": "ABCDE6",
"energy": -73.12297257,
"energy_per_atom": -7.312297257,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.00097257,
"band_gap": 1.1166,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.635000Z",
"spacegroup": 216
},
{
"id": "mp-1522371",
"created_at": "2022-09-04T14:44:56.404320Z",
"structure_string": "K1 Sr1 La1 W1 O6\n1.0\n0.000000 -4.314628 -4.314628\n4.314628 -0.000000 -4.314628\n4.314628 -4.314628 0.000000\nK Sr La W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n-0.000000 -0.000000 -0.000000 La\n0.500000 0.500000 0.500000 W\n0.726450 0.273550 0.273550 O\n0.273550 0.726450 0.726450 O\n0.726450 0.273550 0.726450 O\n0.273550 0.726450 0.273550 O\n0.726450 0.726450 0.273550 O\n0.273550 0.273550 0.726450 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"La",
"W",
"O"
],
"chemical_system": "K-La-O-Sr-W",
"density": 5.638350539795533,
"density_atomic": 0.062250082561674074,
"volume": 160.6423572224588,
"volume_molar": 9.674108872118497,
"formula_full": "K1 Sr1 La1 W1 O6",
"formula_reduced": "KSrLaWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.03921488,
"energy_per_atom": -7.903921488,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.47921488,
"band_gap": 2.9628999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.440000Z",
"spacegroup": 216
},
{
"id": "mp-1520976",
"created_at": "2022-09-04T14:44:31.132269Z",
"structure_string": "K1 Pr1 Mg1 W1 O6\n1.0\n0.000000 -3.992755 -3.992755\n3.992755 0.000000 -3.992755\n3.992755 -3.992755 -0.000000\nK Pr Mg W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Pr\n-0.000000 -0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 W\n0.743027 0.256973 0.256973 O\n0.256973 0.743027 0.743027 O\n0.743027 0.256973 0.743027 O\n0.256973 0.743027 0.256973 O\n0.743027 0.743027 0.256973 O\n0.256973 0.256973 0.743027 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Pr",
"Mg",
"W",
"O"
],
"chemical_system": "K-Mg-O-Pr-W",
"density": 6.3150773482862395,
"density_atomic": 0.07855105416731029,
"volume": 127.30573900001953,
"volume_molar": 7.6665307981393935,
"formula_full": "K1 Pr1 Mg1 W1 O6",
"formula_reduced": "KPrMgWO6",
"formula_anonymous": "ABCDE6",
"energy": -77.82407421,
"energy_per_atom": -7.782407421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.26407421,
"band_gap": 2.9739,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.360000Z",
"spacegroup": 216
},
{
"id": "mp-1227852",
"created_at": "2022-09-04T14:41:45.136816Z",
"structure_string": "Ba1 La1 Ti1 Cu1 O6\n1.0\n0.000000 3.973924 3.973924\n3.973924 0.000000 3.973924\n3.973924 3.973924 0.000000\nBa La Ti Cu O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 La\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Cu\n0.003028 0.496972 0.496972 O\n0.496972 0.003028 0.003028 O\n0.003028 0.496972 0.003028 O\n0.496972 0.003028 0.496972 O\n0.496972 0.496972 0.003028 O\n0.003028 0.003028 0.496972 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"La",
"Ti",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-La-O-Ti",
"density": 6.398590577851808,
"density_atomic": 0.07967302983662183,
"volume": 125.51298752546604,
"volume_molar": 7.558568780864806,
"formula_full": "Ba1 La1 Ti1 Cu1 O6",
"formula_reduced": "BaLaTiCuO6",
"formula_anonymous": "ABCDE6",
"energy": -76.9161219,
"energy_per_atom": -7.691612189999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.7941219,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9113509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.479000Z",
"spacegroup": 216
},
{
"id": "mp-1519018",
"created_at": "2022-09-04T14:42:28.227893Z",
"structure_string": "Ba1 Ce1 Eu1 W1 O6\n1.0\n-0.000000 -4.291059 -4.291059\n4.291059 -0.000000 -4.291059\n4.291059 -4.291059 -0.000000\nBa Ce Eu W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n-0.000000 0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 W\n0.738066 0.261934 0.261934 O\n0.261934 0.738066 0.738066 O\n0.738066 0.261934 0.738066 O\n0.261934 0.738066 0.261934 O\n0.738066 0.738066 0.261934 O\n0.261934 0.261934 0.738066 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ce",
"Eu",
"W",
"O"
],
"chemical_system": "Ba-Ce-Eu-O-W",
"density": 7.452825402692271,
"density_atomic": 0.06328146818176496,
"volume": 158.0241465206962,
"volume_molar": 9.516436538264967,
"formula_full": "Ba1 Ce1 Eu1 W1 O6",
"formula_reduced": "BaCeEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -90.50873683999998,
"energy_per_atom": -9.050873683999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.94873684,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.515000Z",
"spacegroup": 216
},
{
"id": "mp-1043977",
"created_at": "2022-09-04T14:43:17.042920Z",
"structure_string": "La2 Mg2 Fe2 Co2 O12\n1.0\n5.436662 0.000000 0.000000\n0.000000 5.295295 0.000000\n0.000000 5.242205 7.588982\nLa Mg Fe Co O\n2 2 2 2 12\ndirect\n0.215908 0.742474 0.250804 La\n0.784092 0.742474 0.750804 La\n0.690982 0.276381 0.251760 Mg\n0.309018 0.276381 0.751760 Mg\n0.750611 0.998369 0.003032 Fe\n0.249389 0.998369 0.503032 Fe\n0.748293 0.501413 0.499458 Co\n0.251707 0.501413 0.999458 Co\n0.232428 0.873056 0.754889 O\n0.051397 0.259378 0.941487 O\n0.043078 0.631440 0.556470 O\n0.956922 0.631440 0.056470 O\n0.948603 0.259378 0.441487 O\n0.767572 0.873056 0.254889 O\n0.704481 0.181133 0.744832 O\n0.519689 0.709268 0.550924 O\n0.506622 0.326956 0.945457 O\n0.493378 0.326956 0.445457 O\n0.480311 0.709268 0.050924 O\n0.295519 0.181133 0.244832 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-La-Mg-O",
"density": 5.684958993042732,
"density_atomic": 0.09154275527757313,
"volume": 218.47714698292194,
"volume_molar": 6.578500659871826,
"formula_full": "La2 Mg2 Fe2 Co2 O12",
"formula_reduced": "LaMgFeCoO6",
"formula_anonymous": "ABCDE6",
"energy": -149.36111332000002,
"energy_per_atom": -7.468055666000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.32911332,
"band_gap": 0.6360000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0021218,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.925000Z",
"spacegroup": 7
}
]
}