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=spacegroup&page=11500",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=11498",
"results": [
{
"id": "mp-1185408",
"created_at": "2022-09-04T14:41:58.230603Z",
"structure_string": "Li1 Pr1 Zn2\n1.0\n0.000000 3.479743 3.479743\n3.479743 0.000000 3.479743\n3.479743 3.479743 0.000000\nLi Pr Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pr",
"Zn"
],
"chemical_system": "Li-Pr-Zn",
"density": 5.491140916602037,
"density_atomic": 0.047466639505230536,
"volume": 84.26971114226917,
"volume_molar": 12.687101557582134,
"formula_full": "Li1 Pr1 Zn2",
"formula_reduced": "LiPrZn2",
"formula_anonymous": "ABC2",
"energy": -10.26343875,
"energy_per_atom": -2.5658596875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.26343875,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.51e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.967000Z",
"spacegroup": 225
},
{
"id": "mp-1227951",
"created_at": "2022-09-04T14:41:58.351540Z",
"structure_string": "Ba1 La1 Co2 O6\n1.0\n0.000000 3.916118 3.916118\n3.916118 0.000000 3.916118\n3.916118 3.916118 0.000000\nBa La Co O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 La\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"La",
"Co",
"O"
],
"chemical_system": "Ba-Co-La-O",
"density": 6.77535874985855,
"density_atomic": 0.08325353749645766,
"volume": 120.11501613880958,
"volume_molar": 7.233495345775831,
"formula_full": "Ba1 La1 Co2 O6",
"formula_reduced": "BaLa(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy": -72.13134481,
"energy_per_atom": -7.213134481,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.73334481,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.4200824,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.070000Z",
"spacegroup": 225
},
{
"id": "mp-1183900",
"created_at": "2022-09-04T14:41:58.344300Z",
"structure_string": "Co1 Pb3\n1.0\n0.000000 3.695916 3.695916\n3.695916 0.000000 3.695916\n3.695916 3.695916 0.000000\nCo Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.750000 Pb\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"Pb"
],
"chemical_system": "Co-Pb",
"density": 11.191856666202604,
"density_atomic": 0.039615370258556194,
"volume": 100.97091037880867,
"volume_molar": 15.20152587416327,
"formula_full": "Co1 Pb3",
"formula_reduced": "CoPb3",
"formula_anonymous": "AB3",
"energy": -15.94682805,
"energy_per_atom": -3.9867070125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.94682805,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0334639,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.487000Z",
"spacegroup": 225
},
{
"id": "mp-989538",
"created_at": "2022-09-04T14:41:58.372106Z",
"structure_string": "Cs2 In1 Bi1 F6\n1.0\n0.000000 4.931699 4.931699\n4.931699 0.000000 4.931699\n4.931699 4.931699 0.000000\nCs In Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Bi\n0.768265 0.231735 0.231735 F\n0.231735 0.231735 0.768265 F\n0.231735 0.768265 0.768265 F\n0.231735 0.768265 0.231735 F\n0.768265 0.231735 0.768265 F\n0.768265 0.768265 0.231735 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"In",
"Bi",
"F"
],
"chemical_system": "Bi-Cs-F-In",
"density": 4.8702928408930735,
"density_atomic": 0.04168504915743698,
"volume": 239.89416354606627,
"volume_molar": 14.446764203768716,
"formula_full": "Cs2 In1 Bi1 F6",
"formula_reduced": "Cs2InBiF6",
"formula_anonymous": "ABC2D6",
"energy": -46.77374159,
"energy_per_atom": -4.677374159,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.00174159000001,
"band_gap": 2.2862,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0014746,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.797000Z",
"spacegroup": 225
},
{
"id": "mp-1110642",
"created_at": "2022-09-04T14:41:58.396860Z",
"structure_string": "Cs2 Na1 Ga1 Br6\n1.0\n0.000000 5.575277 5.575277\n5.575277 0.000000 5.575277\n5.575277 5.575277 0.000000\nCs Na Ga Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.768041 0.231959 0.231959 Br\n0.231959 0.231959 0.768041 Br\n0.231959 0.768041 0.768041 Br\n0.231959 0.768041 0.231959 Br\n0.768041 0.231959 0.768041 Br\n0.768041 0.768041 0.231959 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Na",
"Ga",
"Br"
],
"chemical_system": "Br-Cs-Ga-Na",
"density": 4.014547976134524,
"density_atomic": 0.028851650031495295,
"volume": 346.6006273153775,
"volume_molar": 20.87277765197504,
"formula_full": "Cs2 Na1 Ga1 Br6",
"formula_reduced": "Cs2NaGaBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.68987886,
"energy_per_atom": -3.268987886,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.48587886,
"band_gap": 1.6072,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005783,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.058000Z",
"spacegroup": 225
},
{
"id": "mp-865089",
"created_at": "2022-09-04T14:41:58.525488Z",
"structure_string": "Na1 Ce1 Tl2\n1.0\n0.000000 3.842215 3.842215\n3.842215 0.000000 3.842215\n3.842215 3.842215 0.000000\nNa Ce Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Ce\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ce",
"Tl"
],
"chemical_system": "Ce-Na-Tl",
"density": 8.370920664469008,
"density_atomic": 0.03526021906819132,
"volume": 113.44229008515858,
"volume_molar": 17.079135975739433,
"formula_full": "Na1 Ce1 Tl2",
"formula_reduced": "NaCeTl2",
"formula_anonymous": "ABC2",
"energy": -12.78434563,
"energy_per_atom": -3.1960864075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.78434563,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.030173,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.863000Z",
"spacegroup": 225
},
{
"id": "mp-542830",
"created_at": "2022-09-04T14:41:58.500879Z",
"structure_string": "Mn23 C6\n1.0\n0.000000 5.209642 5.209642\n5.209642 0.000000 5.209642\n5.209642 5.209642 0.000000\nMn C\n23 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.382120 0.382120 0.382120 Mn\n0.146359 0.617880 0.617880 Mn\n0.617880 0.146359 0.617880 Mn\n0.617880 0.617880 0.146359 Mn\n0.382120 0.853641 0.382120 Mn\n0.382120 0.382120 0.853641 Mn\n0.853641 0.382120 0.382120 Mn\n0.617880 0.617880 0.617880 Mn\n0.000000 0.334062 0.000000 Mn\n0.334062 0.000000 0.000000 Mn\n0.000000 0.334062 0.665938 Mn\n0.665938 0.000000 0.334062 Mn\n0.334062 0.000000 0.665938 Mn\n0.000000 0.000000 0.334062 Mn\n0.665938 0.334062 0.000000 Mn\n0.000000 0.665938 0.334062 Mn\n0.000000 0.000000 0.665938 Mn\n0.334062 0.665938 0.000000 Mn\n0.665938 0.000000 0.000000 Mn\n0.000000 0.665938 0.000000 Mn\n0.275461 0.724539 0.275461 C\n0.275461 0.724539 0.724539 C\n0.724539 0.275461 0.275461 C\n0.724539 0.724539 0.275461 C\n0.275461 0.275461 0.724539 C\n0.724539 0.275461 0.724539 C\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Mn",
"C"
],
"chemical_system": "C-Mn",
"density": 7.843043603649404,
"density_atomic": 0.10255205365730248,
"volume": 282.7832204795148,
"volume_molar": 5.872277097564665,
"formula_full": "Mn23 C6",
"formula_reduced": "Mn23C6",
"formula_anonymous": "A6B23",
"energy": -268.82654733,
"energy_per_atom": -9.269880942413792,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -268.82654733,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0472672,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.462000Z",
"spacegroup": 225
},
{
"id": "mp-1187701",
"created_at": "2022-09-04T14:41:58.517255Z",
"structure_string": "Y2 Ag1 Hg1\n1.0\n0.000000 3.689286 3.689286\n3.689286 0.000000 3.689286\n3.689286 3.689286 0.000000\nY Ag Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Y\n0.250000 0.250000 0.250000 Y\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Y",
"density": 8.040249357857597,
"density_atomic": 0.03982933214270578,
"volume": 100.42849791375545,
"volume_molar": 15.119863768800041,
"formula_full": "Y2 Ag1 Hg1",
"formula_reduced": "Y2AgHg",
"formula_anonymous": "ABC2",
"energy": -17.77596308,
"energy_per_atom": -4.44399077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.77596308,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002132,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.727000Z",
"spacegroup": 225
},
{
"id": "mp-1112885",
"created_at": "2022-09-04T14:41:58.627749Z",
"structure_string": "Cs2 Cu1 Mo1 I6\n1.0\n0.000000 5.772511 5.772511\n5.772511 0.000000 5.772511\n5.772511 5.772511 0.000000\nCs Cu Mo I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Mo\n0.752713 0.247287 0.247287 I\n0.247287 0.247287 0.752713 I\n0.247287 0.752713 0.752713 I\n0.247287 0.752713 0.247287 I\n0.752713 0.247287 0.752713 I\n0.752713 0.752713 0.247287 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Cu",
"Mo",
"I"
],
"chemical_system": "Cs-Cu-I-Mo",
"density": 5.122410967924829,
"density_atomic": 0.02599415455460328,
"volume": 384.70187514635325,
"volume_molar": 23.16728842767285,
"formula_full": "Cs2 Cu1 Mo1 I6",
"formula_reduced": "Cs2CuMoI6",
"formula_anonymous": "ABC2D6",
"energy": -34.54679483,
"energy_per_atom": -3.4546794830000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.27279483,
"band_gap": 0.0871999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9998373,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.169000Z",
"spacegroup": 225
},
{
"id": "mp-862786",
"created_at": "2022-09-04T14:41:58.695776Z",
"structure_string": "Ac2 Cu1 Ge1\n1.0\n0.000000 3.851192 3.851192\n3.851192 0.000000 3.851192\n3.851192 3.851192 0.000000\nAc Cu Ge\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Cu",
"Ge"
],
"chemical_system": "Ac-Cu-Ge",
"density": 8.578719990833303,
"density_atomic": 0.03501422218980283,
"volume": 114.23929334534576,
"volume_molar": 17.199127621215087,
"formula_full": "Ac2 Cu1 Ge1",
"formula_reduced": "Ac2CuGe",
"formula_anonymous": "ABC2",
"energy": -18.37776065,
"energy_per_atom": -4.5944401625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.37776065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0724442,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.765000Z",
"spacegroup": 225
},
{
"id": "mp-20567",
"created_at": "2022-09-04T14:41:58.602579Z",
"structure_string": "Li1 Ga2 Ru1\n1.0\n0.000000 3.031066 3.031066\n3.031066 0.000000 3.031066\n3.031066 3.031066 0.000000\nLi Ga Ru\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Ga\n0.750000 0.750000 0.750000 Ga\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Ru"
],
"chemical_system": "Ga-Li-Ru",
"density": 7.377898330999486,
"density_atomic": 0.07181973801929593,
"volume": 55.69499569777479,
"volume_molar": 8.385077592989857,
"formula_full": "Li1 Ga2 Ru1",
"formula_reduced": "LiGa2Ru",
"formula_anonymous": "ABC2",
"energy": -18.6355929,
"energy_per_atom": -4.658898225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.6355929,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011197,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.487000Z",
"spacegroup": 225
},
{
"id": "mp-13800",
"created_at": "2022-09-04T14:41:58.615814Z",
"structure_string": "Cs2 Na1 Tl1 F6\n1.0\n0.000000 4.590723 4.590723\n4.590723 0.000000 4.590723\n4.590723 4.590723 0.000000\nCs Na Tl F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.759053 0.240947 0.240946 F\n0.240947 0.240947 0.759053 F\n0.240946 0.759053 0.759053 F\n0.240947 0.759053 0.240947 F\n0.759053 0.240947 0.759053 F\n0.759053 0.759054 0.240946 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Na",
"Tl",
"F"
],
"chemical_system": "Cs-F-Na-Tl",
"density": 5.2106185677039765,
"density_atomic": 0.051680503774863315,
"volume": 193.49656581451248,
"volume_molar": 11.652635559115982,
"formula_full": "Cs2 Na1 Tl1 F6",
"formula_reduced": "Cs2NaTlF6",
"formula_anonymous": "ABC2D6",
"energy": -44.19356616,
"energy_per_atom": -4.419356616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.42156616,
"band_gap": 3.6228,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002794,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.371000Z",
"spacegroup": 225
}
]
}