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=45",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=43",
"results": [
{
"id": "mp-1518576",
"created_at": "2022-09-04T14:42:25.332536Z",
"structure_string": "Ba1 Eu1 Dy1 W1 O6\n1.0\n0.000000 -4.232684 -4.232684\n4.232684 -0.000000 -4.232684\n4.232684 -4.232684 -0.000000\nBa Eu Dy W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Eu\n-0.000000 -0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 W\n0.736772 0.263228 0.263228 O\n0.263228 0.736772 0.736772 O\n0.736772 0.263228 0.736772 O\n0.263228 0.736772 0.263228 O\n0.736772 0.736772 0.263228 O\n0.263228 0.263228 0.736772 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Dy",
"W",
"O"
],
"chemical_system": "Ba-Dy-Eu-O-W",
"density": 8.010535032105858,
"density_atomic": 0.0659359799030538,
"volume": 151.66226413413557,
"volume_molar": 9.13331502596064,
"formula_full": "Ba1 Eu1 Dy1 W1 O6",
"formula_reduced": "BaEuDyWO6",
"formula_anonymous": "ABCDE6",
"energy": -89.73896178000001,
"energy_per_atom": -8.973896178,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.17896177999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0324534,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.833000Z",
"spacegroup": 216
},
{
"id": "mp-1522754",
"created_at": "2022-09-04T14:43:52.267433Z",
"structure_string": "Ba1 Nd1 Eu1 V1 O6\n1.0\n0.000000 -4.226806 -4.226806\n4.226806 -0.000000 -4.226806\n4.226806 -4.226806 -0.000000\nBa Nd Eu V O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n-0.000000 -0.000000 -0.000000 Nd\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 V\n0.726695 0.273305 0.273305 O\n0.273305 0.726695 0.726695 O\n0.726695 0.273305 0.726695 O\n0.273305 0.726695 0.273305 O\n0.726695 0.726695 0.273305 O\n0.273305 0.273305 0.726695 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Nd",
"Eu",
"V",
"O"
],
"chemical_system": "Ba-Eu-Nd-O-V",
"density": 6.382085363282385,
"density_atomic": 0.06621144386963095,
"volume": 151.03129331675362,
"volume_molar": 9.095317075183376,
"formula_full": "Ba1 Nd1 Eu1 V1 O6",
"formula_reduced": "BaNdEuVO6",
"formula_anonymous": "ABCDE6",
"energy": -86.07428105,
"energy_per_atom": -8.607428105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.25228105,
"band_gap": 0.0565999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.939000Z",
"spacegroup": 216
},
{
"id": "mp-1519014",
"created_at": "2022-09-04T14:41:25.127760Z",
"structure_string": "Ca1 Tb1 Eu1 Sb1 O6\n1.0\n0.000000 -4.187474 -4.187474\n4.187474 0.000000 -4.187474\n4.187474 -4.187474 0.000000\nCa Tb Eu Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Tb\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Sb\n0.763038 0.236962 0.236962 O\n0.236962 0.763038 0.763038 O\n0.763038 0.236962 0.763038 O\n0.236962 0.763038 0.236962 O\n0.763038 0.763038 0.236962 O\n0.236962 0.236962 0.763038 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Tb",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ca-Eu-O-Sb-Tb",
"density": 6.430786569449387,
"density_atomic": 0.06809475062739156,
"volume": 146.85419812635945,
"volume_molar": 8.843766523138648,
"formula_full": "Ca1 Tb1 Eu1 Sb1 O6",
"formula_reduced": "CaTbEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -80.23325261,
"energy_per_atom": -8.023325261,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.11125261,
"band_gap": 0.1396000000000006,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.344000Z",
"spacegroup": 216
},
{
"id": "mp-1518060",
"created_at": "2022-09-04T14:41:46.474667Z",
"structure_string": "Sr1 Eu1 Gd1 Sb1 O6\n1.0\n0.000000 -4.227054 -4.227054\n4.227054 0.000000 -4.227054\n4.227054 -4.227054 0.000000\nSr Eu Gd Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Sb\n0.735743 0.264257 0.264257 O\n0.264257 0.735743 0.735743 O\n0.735743 0.264257 0.735743 O\n0.264257 0.735743 0.264257 O\n0.735743 0.735743 0.264257 O\n0.264257 0.264257 0.735743 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Gd",
"Sb",
"O"
],
"chemical_system": "Eu-Gd-O-Sb-Sr",
"density": 6.7560287073789125,
"density_atomic": 0.06619979073623146,
"volume": 151.05787931935188,
"volume_molar": 9.0969181216823,
"formula_full": "Sr1 Eu1 Gd1 Sb1 O6",
"formula_reduced": "SrEuGdSbO6",
"formula_anonymous": "ABCDE6",
"energy": -89.65969003,
"energy_per_atom": -8.965969003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.53769003,
"band_gap": 0.4206000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.590000Z",
"spacegroup": 216
},
{
"id": "mp-1518226",
"created_at": "2022-09-04T14:43:52.326132Z",
"structure_string": "K1 La1 Sm1 Fe1 O6\n1.0\n-0.000000 -4.108407 -4.108407\n4.108407 0.000000 -4.108407\n4.108407 -4.108407 -0.000000\nK La Sm Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Fe\n0.772059 0.227941 0.227941 O\n0.227941 0.772059 0.772059 O\n0.772059 0.227941 0.772059 O\n0.227941 0.772059 0.227941 O\n0.772059 0.772059 0.227941 O\n0.227941 0.227941 0.772059 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"La",
"Sm",
"Fe",
"O"
],
"chemical_system": "Fe-K-La-O-Sm",
"density": 5.749440074278614,
"density_atomic": 0.07210238371747633,
"volume": 138.69166987853936,
"volume_molar": 8.352207582480162,
"formula_full": "K1 La1 Sm1 Fe1 O6",
"formula_reduced": "KLaSmFeO6",
"formula_anonymous": "ABCDE6",
"energy": -73.57912482,
"energy_per_atom": -7.357912482000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.20112482,
"band_gap": 0.2865000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.644000Z",
"spacegroup": 216
},
{
"id": "mp-1521059",
"created_at": "2022-09-04T14:42:25.354961Z",
"structure_string": "Sr1 Ca1 Al1 Bi1 O6\n1.0\n-0.000000 -4.000713 -4.000713\n4.000713 0.000000 -4.000713\n4.000713 -4.000713 0.000000\nSr Ca Al Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.000000 -0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Bi\n0.761323 0.238677 0.238677 O\n0.238677 0.761323 0.761323 O\n0.761323 0.238677 0.761323 O\n0.238677 0.761323 0.238677 O\n0.761323 0.761323 0.238677 O\n0.238677 0.238677 0.761323 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-Ca-O-Sr",
"density": 5.959916331110813,
"density_atomic": 0.07808323754544959,
"volume": 128.06846020158093,
"volume_molar": 7.712462942503784,
"formula_full": "Sr1 Ca1 Al1 Bi1 O6",
"formula_reduced": "SrCaAlBiO6",
"formula_anonymous": "ABCDE6",
"energy": -66.867662,
"energy_per_atom": -6.686766199999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.74566200000001,
"band_gap": 0.0110000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.271000Z",
"spacegroup": 216
},
{
"id": "mp-1522044",
"created_at": "2022-09-04T14:42:55.243403Z",
"structure_string": "Ba1 Sr1 Dy1 Mn1 O6\n1.0\n-0.000000 -4.146373 -4.146373\n4.146373 -0.000000 -4.146373\n4.146373 -4.146373 -0.000000\nBa Sr Dy Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n-0.000000 0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 Mn\n0.732123 0.267877 0.267877 O\n0.267877 0.732123 0.732123 O\n0.732123 0.267877 0.732123 O\n0.267877 0.732123 0.267877 O\n0.732123 0.732123 0.267877 O\n0.267877 0.267877 0.732123 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Dy",
"Mn",
"O"
],
"chemical_system": "Ba-Dy-Mn-O-Sr",
"density": 6.270527575462659,
"density_atomic": 0.07013986099009671,
"volume": 142.57228142228476,
"volume_molar": 8.58590347199332,
"formula_full": "Ba1 Sr1 Dy1 Mn1 O6",
"formula_reduced": "BaSrDyMnO6",
"formula_anonymous": "ABCDE6",
"energy": -75.41980930000001,
"energy_per_atom": -7.541980930000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.6298093,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.695000Z",
"spacegroup": 216
},
{
"id": "mp-1517276",
"created_at": "2022-09-04T14:41:13.083970Z",
"structure_string": "K1 Pr1 Y1 Sb1 O6\n1.0\n0.000000 -4.180537 -4.180537\n4.180537 -0.000000 -4.180537\n4.180537 -4.180537 0.000000\nK Pr Y Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Y\n-0.000000 0.000000 0.000000 Sb\n0.762767 0.237233 0.237233 O\n0.237233 0.762767 0.762767 O\n0.762767 0.237233 0.762767 O\n0.237233 0.762767 0.237233 O\n0.762767 0.762767 0.237233 O\n0.237233 0.237233 0.762767 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Pr",
"Y",
"Sb",
"O"
],
"chemical_system": "K-O-Pr-Sb-Y",
"density": 5.530391248253613,
"density_atomic": 0.06843429376804318,
"volume": 146.12556730540425,
"volume_molar": 8.799887349479983,
"formula_full": "K1 Pr1 Y1 Sb1 O6",
"formula_reduced": "KPrYSbO6",
"formula_anonymous": "ABCDE6",
"energy": -74.36173717,
"energy_per_atom": -7.436173717,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.23973717,
"band_gap": 3.2201000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.755000Z",
"spacegroup": 216
},
{
"id": "mp-1522971",
"created_at": "2022-09-04T14:41:27.728774Z",
"structure_string": "Ba1 Pr1 In1 W1 O6\n1.0\n0.000000 -4.336658 -4.336658\n4.336658 0.000000 -4.336658\n4.336658 -4.336658 0.000000\nBa Pr In W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Pr\n0.750000 0.750000 0.750000 In\n0.500000 0.500000 0.500000 W\n0.726162 0.273838 0.273838 O\n0.273838 0.726162 0.726162 O\n0.726162 0.273838 0.726162 O\n0.273838 0.726162 0.273838 O\n0.726162 0.726162 0.273838 O\n0.273838 0.273838 0.726162 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Pr",
"In",
"W",
"O"
],
"chemical_system": "Ba-In-O-Pr-W",
"density": 6.850102043648342,
"density_atomic": 0.06130621198467991,
"volume": 163.11560731396918,
"volume_molar": 9.823051473976077,
"formula_full": "Ba1 Pr1 In1 W1 O6",
"formula_reduced": "BaPrInWO6",
"formula_anonymous": "ABCDE6",
"energy": -78.59878442,
"energy_per_atom": -7.859878442,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.03878442,
"band_gap": 1.9172,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.552000Z",
"spacegroup": 216
},
{
"id": "mp-1518767",
"created_at": "2022-09-04T14:41:54.522083Z",
"structure_string": "Eu1 Cr1 Sn1 Bi1 O6\n1.0\n0.000000 -4.011653 -4.011653\n4.011653 -0.000000 -4.011653\n4.011653 -4.011653 0.000000\nEu Cr Sn Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n-0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.750000 0.750000 0.750000 Bi\n0.753667 0.246333 0.246333 O\n0.246333 0.753667 0.753667 O\n0.753667 0.246333 0.753667 O\n0.246333 0.753667 0.246333 O\n0.753667 0.753667 0.246333 O\n0.246333 0.246333 0.753667 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Eu",
"Cr",
"Sn",
"Bi",
"O"
],
"chemical_system": "Bi-Cr-Eu-O-Sn",
"density": 8.071688787278557,
"density_atomic": 0.07744616609227792,
"volume": 129.12195018259388,
"volume_molar": 7.77590559205288,
"formula_full": "Eu1 Cr1 Sn1 Bi1 O6",
"formula_reduced": "EuCrSnBiO6",
"formula_anonymous": "ABCDE6",
"energy": -79.11347644,
"energy_per_atom": -7.911347644,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.99247644,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8747979,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.747000Z",
"spacegroup": 216
},
{
"id": "mp-1518023",
"created_at": "2022-09-04T14:41:55.060840Z",
"structure_string": "Li2 Tb2 Pr2 Ni2 O12\n1.0\n3.649656 -3.564276 0.000000\n3.649656 3.564276 0.000000\n0.000000 0.000000 8.926960\nLi Tb Pr Ni O\n2 2 2 2 12\ndirect\n-0.000000 0.500000 -0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.250000 Tb\n0.500000 0.500000 0.750000 Tb\n-0.000000 0.000000 0.250000 Pr\n-0.000000 0.000000 0.750000 Pr\n-0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 -0.000000 Ni\n-0.000000 0.500000 0.258722 O\n0.500000 0.000000 0.241278 O\n-0.000000 0.500000 0.741278 O\n0.500000 0.000000 0.758722 O\n0.389956 0.604656 -0.000000 O\n0.610044 0.395344 -0.000000 O\n0.857109 0.849723 -0.000000 O\n0.142891 0.150277 -0.000000 O\n0.849723 0.857109 0.500000 O\n0.150277 0.142891 0.500000 O\n0.395344 0.610044 0.500000 O\n0.604656 0.389956 0.500000 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"Tb",
"Pr",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Pr-Tb",
"density": 6.598722857712875,
"density_atomic": 0.08611387913658482,
"volume": 232.25059886430265,
"volume_molar": 6.993228989775633,
"formula_full": "Li2 Tb2 Pr2 Ni2 O12",
"formula_reduced": "LiTbPrNiO6",
"formula_anonymous": "ABCDE6",
"energy": -138.13303217,
"energy_per_atom": -6.906651608500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.47103217,
"band_gap": 0.6659000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9999932,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.816000Z",
"spacegroup": 66
},
{
"id": "mp-1520239",
"created_at": "2022-09-04T14:42:43.952554Z",
"structure_string": "Ca1 Ti1 Nb1 In1 O6\n1.0\n-0.000000 -4.002972 -4.002972\n4.002972 -0.000000 -4.002972\n4.002972 -4.002972 0.000000\nCa Ti Nb In O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Ti\n-0.000000 -0.000000 -0.000000 Nb\n0.750000 0.750000 0.750000 In\n0.747732 0.252268 0.252268 O\n0.252268 0.747732 0.747732 O\n0.747732 0.252268 0.747732 O\n0.252268 0.747732 0.252268 O\n0.747732 0.747732 0.252268 O\n0.252268 0.252268 0.747732 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Ti",
"Nb",
"In",
"O"
],
"chemical_system": "Ca-In-Nb-O-Ti",
"density": 5.06975618341028,
"density_atomic": 0.07795111782787832,
"volume": 128.28552403931806,
"volume_molar": 7.725534832351371,
"formula_full": "Ca1 Ti1 Nb1 In1 O6",
"formula_reduced": "CaTiNbInO6",
"formula_anonymous": "ABCDE6",
"energy": -81.07154269999998,
"energy_per_atom": -8.107154269999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.9495427,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.591000Z",
"spacegroup": 216
}
]
}