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=-band_gap&page=12123",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=12121",
"results": [
{
"id": "mp-1375904",
"created_at": "2022-09-04T14:42:15.034261Z",
"structure_string": "Ca4 Al2 Ag2 O10\n1.0\n-2.738209 2.923029 7.457607\n2.738209 -2.923029 7.457607\n2.738209 2.923029 -7.457607\nCa Al Ag O\n4 2 2 10\ndirect\n0.353392 0.864482 0.447163 Ca\n0.082681 0.593770 0.447163 Ca\n0.646608 0.093770 0.511089 Ca\n0.917319 0.364482 0.511089 Ca\n0.673750 0.717487 0.891237 Al\n0.326250 0.217487 0.043738 Al\n0.500000 0.494575 0.994575 Ag\n0.000000 0.994575 0.994575 Ag\n0.595316 0.391289 0.486605 O\n0.404684 0.891289 0.795973 O\n0.253367 0.394896 0.960262 O\n0.746633 0.706895 0.141529 O\n0.934634 0.894896 0.141529 O\n0.065366 0.206895 0.960262 O\n0.270740 0.766861 0.977737 O\n0.729260 0.706997 0.496121 O\n0.710876 0.206997 0.977737 O\n0.289124 0.266861 0.496121 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Ag",
"O"
],
"chemical_system": "Ag-Al-Ca-O",
"density": 4.103419694858535,
"density_atomic": 0.07538992354120695,
"volume": 238.7586981721965,
"volume_molar": 7.987991600374013,
"formula_full": "Ca4 Al2 Ag2 O10",
"formula_reduced": "Ca2AlAgO5",
"formula_anonymous": "ABC2D5",
"energy": -115.65572550000002,
"energy_per_atom": -6.425318083333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.78572549999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.202000Z",
"spacegroup": 46
},
{
"id": "mp-698613",
"created_at": "2022-09-04T14:42:15.047185Z",
"structure_string": "La14 Mn16 O45\n1.0\n5.623724 -0.016445 -0.016341\n-0.016121 5.601047 0.029892\n-0.068878 0.155060 31.340967\nLa Mn O\n14 16 45\ndirect\n0.992268 0.977674 0.176321 La\n0.002784 0.987823 0.427645 La\n0.007720 0.970025 0.687362 La\n0.009339 0.975679 0.946485 La\n0.494412 0.486949 0.433319 La\n0.516465 0.484229 0.184985 La\n0.490683 0.469365 0.687528 La\n0.497278 0.475837 0.941726 La\n0.520380 0.528444 0.061839 La\n0.514179 0.535225 0.313746 La\n0.507643 0.531583 0.814899 La\n0.506170 0.533098 0.559817 La\n0.991311 0.030975 0.816078 La\n0.989937 0.032652 0.558764 La\n0.003325 0.486028 0.125871 Mn\n0.994992 0.503494 0.373445 Mn\n0.998476 0.501119 0.623774 Mn\n0.001204 0.500666 0.877554 Mn\n0.999825 0.490295 0.001475 Mn\n0.985210 0.507513 0.250209 Mn\n0.998603 0.505468 0.497227 Mn\n0.998490 0.501133 0.751302 Mn\n0.501024 0.011632 0.369073 Mn\n0.497183 0.999744 0.123013 Mn\n0.509734 0.997836 0.005248 Mn\n0.498759 0.001437 0.623578 Mn\n0.527897 0.995058 0.252977 Mn\n0.496926 0.000347 0.878321 Mn\n0.499571 0.000592 0.751335 Mn\n0.493962 0.004679 0.496302 Mn\n0.078679 0.485173 0.559087 O\n0.080241 0.484101 0.815629 O\n0.213016 0.221128 0.485592 O\n0.221800 0.218284 0.739866 O\n0.237966 0.240801 0.993164 O\n0.240126 0.235415 0.132532 O\n0.238740 0.258922 0.381586 O\n0.217714 0.219063 0.634885 O\n0.214132 0.215968 0.888969 O\n0.293319 0.668789 0.245203 O\n0.263810 0.718204 0.134202 O\n0.262927 0.731564 0.379948 O\n0.276305 0.723064 0.486973 O\n0.281408 0.718069 0.634829 O\n0.279354 0.717917 0.887892 O\n0.279373 0.718049 0.739990 O\n0.273027 0.712927 0.994437 O\n0.445892 0.956181 0.063895 O\n0.420459 0.011560 0.309197 O\n0.420568 0.987094 0.814933 O\n0.419313 0.988869 0.560350 O\n0.570210 0.013468 0.432982 O\n0.580232 0.016755 0.687298 O\n0.543203 0.021730 0.189876 O\n0.576969 0.009986 0.941233 O\n0.725174 0.284970 0.010474 O\n0.727520 0.278655 0.118420 O\n0.694818 0.309922 0.257357 O\n0.720105 0.283511 0.762210 O\n0.718670 0.282725 0.866528 O\n0.731461 0.285371 0.365458 O\n0.716466 0.285702 0.508137 O\n0.717040 0.284716 0.612954 O\n0.761383 0.746319 0.126896 O\n0.777260 0.778594 0.866163 O\n0.771747 0.742950 0.010858 O\n0.788767 0.775803 0.258563 O\n0.755629 0.750860 0.364387 O\n0.781867 0.784566 0.612859 O\n0.778501 0.783945 0.762303 O\n0.772438 0.782184 0.508754 O\n0.964196 0.441098 0.189751 O\n0.921518 0.515726 0.687706 O\n0.926810 0.513521 0.937149 O\n0.923197 0.522379 0.437633 O\n",
"nsites": 75,
"nelements": 3,
"elements": [
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 5.9609186012217075,
"density_atomic": 0.07597549167169595,
"volume": 987.1604427923779,
"volume_molar": 7.926425518932837,
"formula_full": "La14 Mn16 O45",
"formula_reduced": "La14Mn16O45",
"formula_anonymous": "A14B16C45",
"energy": -652.3983670599999,
"energy_per_atom": -8.698644894133333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -594.79536706,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 64.0001669,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.214000Z",
"spacegroup": 1
},
{
"id": "mp-4227",
"created_at": "2022-09-04T14:42:04.780853Z",
"structure_string": "Ba2 V2 S6\n1.0\n3.373408 -5.842914 0.000000\n3.373408 5.842914 0.000000\n0.000000 0.000000 5.728735\nBa V S\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.750000 Ba\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.837348 0.674695 0.750000 S\n0.162652 0.837348 0.250000 S\n0.674695 0.837348 0.250000 S\n0.325305 0.162652 0.750000 S\n0.162652 0.325305 0.250000 S\n0.837348 0.162652 0.750000 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"V",
"S"
],
"chemical_system": "Ba-S-V",
"density": 4.183295553580513,
"density_atomic": 0.04428053981099496,
"volume": 225.83283859418933,
"volume_molar": 13.599971422445687,
"formula_full": "Ba2 V2 S6",
"formula_reduced": "BaVS3",
"formula_anonymous": "ABC3",
"energy": -63.38342442,
"energy_per_atom": -6.338342442,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.36542442,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5441142,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.756000Z",
"spacegroup": 194
},
{
"id": "mp-27902",
"created_at": "2022-09-04T14:42:15.071255Z",
"structure_string": "Bi6 Se6\n1.0\n2.129161 -3.687815 0.000000\n2.129161 3.687815 0.000000\n0.000000 0.000000 24.159378\nBi Se\n6 6\ndirect\n0.666667 0.333333 0.462917 Bi\n0.333333 0.666667 0.537083 Bi\n0.666667 0.333333 0.713992 Bi\n0.333333 0.666667 0.286008 Bi\n0.000000 0.000000 0.871492 Bi\n0.000000 0.000000 0.128508 Bi\n0.000000 0.000000 0.649287 Se\n0.000000 0.000000 0.350713 Se\n0.666667 0.333333 0.208304 Se\n0.333333 0.666667 0.791696 Se\n0.666667 0.333333 0.934327 Se\n0.333333 0.666667 0.065673 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 7.5615282304922715,
"density_atomic": 0.03162917560750395,
"volume": 379.3965466856185,
"volume_molar": 19.03982839998922,
"formula_full": "Bi6 Se6",
"formula_reduced": "BiSe",
"formula_anonymous": "AB",
"energy": -50.93205476,
"energy_per_atom": -4.244337896666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.10005475999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.31e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.733000Z",
"spacegroup": 164
},
{
"id": "mp-729015",
"created_at": "2022-09-04T14:42:15.090935Z",
"structure_string": "Cr4 Cu4 P4 Pb8 O36\n1.0\n5.867107 0.000000 0.000000\n0.000000 9.647011 0.000000\n0.000000 0.374844 13.895516\nCr Cu P Pb O\n4 4 4 8 36\ndirect\n0.245403 0.317626 0.365642 Cr\n0.254597 0.817626 0.865642 Cr\n0.754597 0.682374 0.634358 Cr\n0.745403 0.182374 0.134358 Cr\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.236048 0.175890 0.655068 P\n0.263952 0.675890 0.155068 P\n0.763952 0.824110 0.344932 P\n0.736048 0.324110 0.844932 P\n0.261557 0.016922 0.230959 Pb\n0.238443 0.516922 0.730959 Pb\n0.738443 0.983078 0.769041 Pb\n0.761557 0.483078 0.269041 Pb\n0.736802 0.325399 0.546316 Pb\n0.763198 0.825399 0.046316 Pb\n0.263198 0.674601 0.453684 Pb\n0.236802 0.174601 0.953684 Pb\n0.462073 0.108277 0.614198 O\n0.037927 0.608277 0.114198 O\n0.537927 0.891723 0.385802 O\n0.962073 0.391723 0.885802 O\n0.015089 0.106712 0.611677 O\n0.484911 0.606712 0.111677 O\n0.984911 0.893288 0.388323 O\n0.515089 0.393288 0.888323 O\n0.235516 0.330330 0.621114 O\n0.264484 0.830330 0.121114 O\n0.764484 0.669670 0.378886 O\n0.735516 0.169670 0.878886 O\n0.224682 0.152928 0.763773 O\n0.275318 0.652928 0.263773 O\n0.775318 0.847072 0.236227 O\n0.724682 0.347072 0.736227 O\n0.485922 0.405263 0.396479 O\n0.014078 0.905263 0.896479 O\n0.514078 0.594737 0.603521 O\n0.985922 0.094737 0.103521 O\n0.012569 0.402805 0.406262 O\n0.487431 0.902805 0.906262 O\n0.987431 0.597195 0.593738 O\n0.512569 0.097195 0.093738 O\n0.254937 0.156900 0.410302 O\n0.245063 0.656900 0.910302 O\n0.745063 0.843100 0.589698 O\n0.754937 0.343100 0.089698 O\n0.223053 0.308467 0.248721 O\n0.276947 0.808467 0.748721 O\n0.776947 0.691533 0.751279 O\n0.723053 0.191533 0.251279 O\n0.748975 0.104658 0.465497 O\n0.751025 0.604658 0.965497 O\n0.251025 0.895342 0.534503 O\n0.248975 0.395342 0.034503 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Cr",
"Cu",
"P",
"Pb",
"O"
],
"chemical_system": "Cr-Cu-O-P-Pb",
"density": 5.953215228809032,
"density_atomic": 0.07120271699527445,
"volume": 786.4868415585403,
"volume_molar": 8.457740117416693,
"formula_full": "Cr4 Cu4 P4 Pb8 O36",
"formula_reduced": "CrCuPPb2O9",
"formula_anonymous": "ABCD2E9",
"energy": -386.47405115,
"energy_per_atom": -6.901322341964286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -353.74605115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006848,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.993000Z",
"spacegroup": 14
},
{
"id": "mp-20779",
"created_at": "2022-09-04T14:42:15.099592Z",
"structure_string": "Li4 Ce2 Sb4\n1.0\n4.615686 0.000000 0.000000\n0.000000 4.615686 0.000000\n0.000000 0.000000 11.112956\nLi Ce Sb\n4 2 4\ndirect\n0.000000 0.500000 0.378081 Li\n0.500000 0.000000 0.621919 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.730861 Ce\n0.500000 0.000000 0.269139 Ce\n0.500000 0.000000 0.851861 Sb\n0.000000 0.500000 0.148139 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Ce",
"Sb"
],
"chemical_system": "Ce-Li-Sb",
"density": 5.5761414740124895,
"density_atomic": 0.04223746958097713,
"volume": 236.75660732535434,
"volume_molar": 14.257816151733309,
"formula_full": "Li4 Ce2 Sb4",
"formula_reduced": "Li2CeSb2",
"formula_anonymous": "AB2C2",
"energy": -43.75202102,
"energy_per_atom": -4.375202102,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.98402102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1187373,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.136000Z",
"spacegroup": 129
},
{
"id": "mp-1210884",
"created_at": "2022-09-04T14:42:04.722764Z",
"structure_string": "Li4 Ce4 Si6\n1.0\n2.201815 -9.165386 0.000000\n2.201815 9.165386 0.000000\n0.000000 0.000000 6.739180\nLi Ce Si\n4 4 6\ndirect\n0.810675 0.189325 0.560393 Li\n0.189325 0.810675 0.439607 Li\n0.189325 0.810675 0.060393 Li\n0.810675 0.189325 0.939607 Li\n0.550590 0.449410 0.250000 Ce\n0.449410 0.550590 0.750000 Ce\n0.344012 0.655988 0.250000 Ce\n0.655988 0.344012 0.750000 Ce\n0.941057 0.058943 0.073472 Si\n0.058943 0.941057 0.926528 Si\n0.058943 0.941057 0.573472 Si\n0.941057 0.058943 0.426528 Si\n0.719931 0.280069 0.250000 Si\n0.280069 0.719931 0.750000 Si\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Ce",
"Si"
],
"chemical_system": "Ce-Li-Si",
"density": 4.619848395284797,
"density_atomic": 0.05147061976321026,
"volume": 271.9998333885772,
"volume_molar": 11.700152024018283,
"formula_full": "Li4 Ce4 Si6",
"formula_reduced": "Li2Ce2Si3",
"formula_anonymous": "A2B2C3",
"energy": -71.34104357,
"energy_per_atom": -5.095788826428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.76704357,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8137246,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.912000Z",
"spacegroup": 63
},
{
"id": "mp-724876",
"created_at": "2022-09-04T14:42:04.718118Z",
"structure_string": "W4 N2 O12\n1.0\n0.000000 5.213748 5.213748\n5.213748 0.000000 5.213748\n5.213748 5.213748 0.000000\nW N O\n4 2 12\ndirect\n0.125000 0.625000 0.625000 W\n0.625000 0.125000 0.625000 W\n0.625000 0.625000 0.125000 W\n0.625000 0.625000 0.625000 W\n0.250000 0.250000 0.250000 N\n0.000000 0.000000 0.000000 N\n0.682660 0.682660 0.317340 O\n0.317340 0.317340 0.682660 O\n0.682660 0.317340 0.682660 O\n0.317340 0.682660 0.317340 O\n0.317340 0.682660 0.682660 O\n0.682660 0.317340 0.317340 O\n0.567340 0.567340 0.932660 O\n0.932660 0.932660 0.567340 O\n0.567340 0.932660 0.567340 O\n0.932660 0.567340 0.932660 O\n0.932660 0.567340 0.567340 O\n0.567340 0.932660 0.932660 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"W",
"N",
"O"
],
"chemical_system": "N-O-W",
"density": 5.59678811162547,
"density_atomic": 0.06350273066259975,
"volume": 283.45237775107506,
"volume_molar": 9.483278430964814,
"formula_full": "W4 N2 O12",
"formula_reduced": "W2NO6",
"formula_anonymous": "AB2C6",
"energy": -152.33325642,
"energy_per_atom": -8.46295869,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.33725642,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.950000Z",
"spacegroup": 227
},
{
"id": "mp-11834",
"created_at": "2022-09-04T14:42:04.771014Z",
"structure_string": "Cu1 Ni1 Sb2\n1.0\n2.048579 -3.548243 0.000000\n2.048579 3.548243 0.000000\n0.000000 0.000000 5.137168\nCu Ni Sb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Ni\n0.333333 0.666667 0.274203 Sb\n0.666667 0.333333 0.725797 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"Ni",
"Sb"
],
"chemical_system": "Cu-Ni-Sb",
"density": 8.132512853491747,
"density_atomic": 0.053559949139419305,
"volume": 74.68266987311347,
"volume_molar": 11.243738757712515,
"formula_full": "Cu1 Ni1 Sb2",
"formula_reduced": "CuNiSb2",
"formula_anonymous": "ABC2",
"energy": -19.10362035,
"energy_per_atom": -4.7759050875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.71962035,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010937,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.165000Z",
"spacegroup": 164
},
{
"id": "mp-640922",
"created_at": "2022-09-04T14:42:15.151824Z",
"structure_string": "Ce3 In3 Pt3\n1.0\n3.816271 -6.609975 0.000000\n3.816271 6.609975 0.000000\n0.000000 0.000000 4.073034\nCe In Pt\n3 3 3\ndirect\n0.412423 0.000000 0.500000 Ce\n0.587577 0.587577 0.500000 Ce\n0.000000 0.412423 0.500000 Ce\n0.000000 0.748331 0.000000 In\n0.748331 0.000000 0.000000 In\n0.251669 0.251669 0.000000 In\n0.000000 0.000000 0.500000 Pt\n0.666667 0.333333 0.000000 Pt\n0.333333 0.666667 0.000000 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"In",
"Pt"
],
"chemical_system": "Ce-In-Pt",
"density": 10.90970939381373,
"density_atomic": 0.04379811850388984,
"volume": 205.48827911867227,
"volume_molar": 13.749770459809037,
"formula_full": "Ce3 In3 Pt3",
"formula_reduced": "CeInPt",
"formula_anonymous": "ABC",
"energy": -52.55063609,
"energy_per_atom": -5.838959565555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.55063609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4115287,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.276000Z",
"spacegroup": 189
},
{
"id": "mp-13045",
"created_at": "2022-09-04T14:42:04.685664Z",
"structure_string": "Eu2 Cu2 Sn4\n1.0\n2.250619 -9.662898 0.000000\n2.250619 9.662898 0.000000\n0.000000 0.000000 4.586239\nEu Cu Sn\n2 2 4\ndirect\n0.608190 0.391810 0.250000 Eu\n0.391810 0.608190 0.750000 Eu\n0.174744 0.825256 0.750000 Cu\n0.825256 0.174744 0.250000 Cu\n0.248664 0.751336 0.250000 Sn\n0.751336 0.248664 0.750000 Sn\n0.043065 0.956935 0.750000 Sn\n0.956935 0.043065 0.250000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Eu",
"Cu",
"Sn"
],
"chemical_system": "Cu-Eu-Sn",
"density": 7.540742754998999,
"density_atomic": 0.04010457626674973,
"volume": 199.47848212605885,
"volume_molar": 15.016093724428382,
"formula_full": "Eu2 Cu2 Sn4",
"formula_reduced": "EuCuSn2",
"formula_anonymous": "ABC2",
"energy": -48.2601735,
"energy_per_atom": -6.0325216875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.2601735,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.8526364,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.204000Z",
"spacegroup": 63
},
{
"id": "mp-757773",
"created_at": "2022-09-04T14:42:15.051598Z",
"structure_string": "Li10 V10 O24\n1.0\n5.090065 0.000000 0.000000\n2.510784 4.441989 0.000000\n1.600611 0.154815 19.715298\nLi V O\n10 10 24\ndirect\n0.662716 0.177728 0.998529 Li\n0.422198 0.181001 0.751657 Li\n0.378357 0.499735 0.875496 Li\n0.159949 0.172811 0.498304 Li\n0.016236 0.500856 0.998338 Li\n0.234097 0.496187 0.251378 Li\n0.905909 0.183516 0.251316 Li\n0.098011 0.829763 0.751470 Li\n0.874222 0.500753 0.374846 Li\n0.514081 0.494293 0.498437 Li\n0.792434 0.169807 0.625253 V\n0.541115 0.167573 0.376157 V\n0.037989 0.175300 0.872936 V\n0.293653 0.164028 0.125420 V\n0.121076 0.505114 0.624574 V\n0.704037 0.830109 0.876245 V\n0.621643 0.506553 0.125058 V\n0.953391 0.839738 0.125129 V\n0.461410 0.834737 0.624788 V\n0.210350 0.828953 0.373919 V\n0.761885 0.132799 0.820765 O\n0.847657 0.149970 0.427279 O\n0.345820 0.146711 0.927401 O\n0.470770 0.180797 0.570282 O\n0.611306 0.168815 0.180446 O\n0.252741 0.150185 0.322103 O\n0.112368 0.159890 0.679765 O\n0.437866 0.497084 0.680699 O\n0.240516 0.470851 0.430225 O\n0.041425 0.487863 0.821628 O\n0.967244 0.173879 0.070264 O\n0.301498 0.500488 0.069922 O\n0.731969 0.473339 0.929164 O\n0.947076 0.498821 0.180911 O\n0.807898 0.480723 0.568988 O\n0.144019 0.844233 0.569942 O\n0.983309 0.857234 0.928160 O\n0.534552 0.475716 0.319901 O\n0.775007 0.857819 0.679936 O\n0.904285 0.852939 0.323108 O\n0.668475 0.835713 0.069519 O\n0.380785 0.866317 0.822503 O\n0.490363 0.852749 0.427541 O\n0.247440 0.834153 0.180081 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.586623646905193,
"density_atomic": 0.0987071297657047,
"volume": 445.7631389388002,
"volume_molar": 6.101019018883845,
"formula_full": "Li10 V10 O24",
"formula_reduced": "Li5V5O12",
"formula_anonymous": "A5B5C12",
"energy": -335.40329172,
"energy_per_atom": -7.622802084545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -301.91529172,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.015000Z",
"spacegroup": 1
}
]
}