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=12159",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12157",
"results": [
{
"id": "mp-1187769",
"created_at": "2022-09-04T14:42:17.607817Z",
"structure_string": "Xe3\n1.0\n11.759570 -2.415816 0.000000\n11.759570 2.415816 0.000000\n11.263279 0.000000 4.154780\nXe\n3\ndirect\n0.000000 0.000000 0.000000 Xe\n0.222295 0.222295 0.222295 Xe\n0.777705 0.777705 0.777705 Xe\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.7706304386431087,
"density_atomic": 0.012708313848579412,
"volume": 236.06593571304916,
"volume_molar": 47.387409783503095,
"formula_full": "Xe3",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.1020993,
"energy_per_atom": -0.034033100000000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.1020993,
"band_gap": 6.2294,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0023449,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.185000Z",
"spacegroup": 166
},
{
"id": "mp-1179917",
"created_at": "2022-09-04T14:42:14.232432Z",
"structure_string": "Pr3\n1.0\n1.856600 -3.215725 0.000000\n1.856600 3.215725 0.000000\n0.000000 0.000000 9.065304\nPr\n3\ndirect\n0.319115 0.000000 0.666667 Pr\n0.000000 0.319115 0.333333 Pr\n0.680885 0.680885 0.000000 Pr\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.484780909590122,
"density_atomic": 0.027714792950424044,
"volume": 108.24544153609126,
"volume_molar": 21.728976185289742,
"formula_full": "Pr3",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy": -14.30187732,
"energy_per_atom": -4.767292439999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.30187732,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0921586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.927000Z",
"spacegroup": 154
},
{
"id": "mp-1179605",
"created_at": "2022-09-04T14:42:09.296904Z",
"structure_string": "Sb2\n1.0\n4.347518 0.000000 0.000000\n0.000000 3.122402 0.000000\n0.000000 0.038915 4.405852\nSb\n2\ndirect\n0.750000 0.011389 0.758834 Sb\n0.250000 0.988611 0.241166 Sb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 6.761197511367673,
"density_atomic": 0.03344027852635407,
"volume": 59.808114290190886,
"volume_molar": 18.00864414228485,
"formula_full": "Sb2",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -8.15703779,
"energy_per_atom": -4.078518895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.15703779,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002955,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.968000Z",
"spacegroup": 11
},
{
"id": "mp-12957",
"created_at": "2022-09-04T14:42:13.769954Z",
"structure_string": "O8\n1.0\n3.110107 4.377428 0.000000\n-3.110107 4.377428 0.000000\n0.000000 1.908312 3.953345\nO\n8\ndirect\n0.726541 0.213911 0.155391 O\n0.786089 0.273459 0.844609 O\n0.273459 0.786089 0.844609 O\n0.213911 0.726541 0.155391 O\n0.792252 0.792252 0.178320 O\n0.207748 0.207748 0.821680 O\n0.851778 0.851778 0.867359 O\n0.148222 0.148222 0.132641 O\n",
"nsites": 8,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.9744844912403197,
"density_atomic": 0.07431918408687412,
"volume": 107.6438082346079,
"volume_molar": 8.103077064140699,
"formula_full": "O8",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -39.58368804,
"energy_per_atom": -4.947961005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.58368804,
"band_gap": 1.1346,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.503000Z",
"spacegroup": 12
},
{
"id": "mp-72",
"created_at": "2022-09-04T14:42:14.492213Z",
"structure_string": "Ti3\n1.0\n2.288427 -3.963673 0.000000\n2.288427 3.963673 0.000000\n0.000000 0.000000 2.828683\nTi\n3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.500000 Ti\n0.666667 0.333333 0.500000 Ti\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.646836629961642,
"density_atomic": 0.05846178846391811,
"volume": 51.31557003001307,
"volume_molar": 10.300986196679204,
"formula_full": "Ti3",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -23.68647605,
"energy_per_atom": -7.895492016666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.68647605,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000874,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.679000Z",
"spacegroup": 191
},
{
"id": "mp-972351",
"created_at": "2022-09-04T14:39:10.989706Z",
"structure_string": "Tl3\n1.0\n8.303442 -1.825894 0.000000\n8.303442 1.825894 0.000000\n7.901935 0.000000 3.136951\nTl\n3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.220598 0.220598 0.220598 Tl\n0.779402 0.779402 0.779402 Tl\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 10.703955888179133,
"density_atomic": 0.03153913703796827,
"volume": 95.11991391484369,
"volume_molar": 19.09418368914238,
"formula_full": "Tl3",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy": -7.08792944,
"energy_per_atom": -2.3626431466666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.08792944,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.817000Z",
"spacegroup": 166
},
{
"id": "mp-1014111",
"created_at": "2022-09-04T14:39:10.515461Z",
"structure_string": "Ni2\n1.0\n1.208342 -2.092910 0.000000\n1.208342 2.092910 0.000000\n0.000000 0.000000 13.515347\nNi\n2\ndirect\n0.333333 0.666667 0.425238 Ni\n0.666667 0.333333 0.574762 Ni\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 2.8514826991109197,
"density_atomic": 0.02925717405140096,
"volume": 68.35930211462892,
"volume_molar": 20.58346697948305,
"formula_full": "Ni2",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -10.3197951,
"energy_per_atom": -5.15989755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.3197951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3472965,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.320000Z",
"spacegroup": 164
},
{
"id": "mp-1196857",
"created_at": "2022-09-04T14:39:11.168662Z",
"structure_string": "C52\n1.0\n9.105024 0.000000 0.000000\n0.000000 18.943520 0.000000\n0.000000 0.000000 5.917269\nC\n52\ndirect\n0.860296 0.788265 0.077894 C\n0.360296 0.711735 0.422106 C\n0.139704 0.288265 0.922106 C\n0.639704 0.211735 0.577894 C\n0.139704 0.211735 0.922106 C\n0.639704 0.288265 0.577894 C\n0.860296 0.711735 0.077894 C\n0.360296 0.788265 0.422106 C\n0.922058 0.840189 0.207588 C\n0.422058 0.659811 0.292412 C\n0.077942 0.340189 0.792412 C\n0.577942 0.159811 0.707588 C\n0.077942 0.159811 0.792412 C\n0.577942 0.340189 0.707588 C\n0.922058 0.659811 0.207588 C\n0.422058 0.840189 0.292412 C\n0.898630 0.905657 0.156797 C\n0.398630 0.594343 0.343203 C\n0.101370 0.405657 0.843203 C\n0.601370 0.094343 0.656797 C\n0.101370 0.094343 0.843203 C\n0.601370 0.405657 0.656797 C\n0.898630 0.594343 0.156797 C\n0.398630 0.905657 0.343203 C\n0.819340 0.926678 0.984225 C\n0.319340 0.573322 0.515775 C\n0.180660 0.426678 0.015775 C\n0.680660 0.073322 0.484225 C\n0.180660 0.073322 0.015775 C\n0.680660 0.426678 0.484225 C\n0.819340 0.573322 0.984225 C\n0.319340 0.926678 0.515775 C\n0.753751 0.885473 0.844101 C\n0.253751 0.614527 0.655899 C\n0.246249 0.385473 0.155899 C\n0.746249 0.114527 0.344101 C\n0.246249 0.114527 0.155899 C\n0.746249 0.385473 0.344101 C\n0.753751 0.614527 0.844101 C\n0.253751 0.885473 0.655899 C\n0.767227 0.813059 0.875266 C\n0.267227 0.686941 0.624734 C\n0.232773 0.313059 0.124734 C\n0.732773 0.186941 0.375266 C\n0.232773 0.186941 0.124734 C\n0.732773 0.313059 0.375266 C\n0.767227 0.686941 0.875266 C\n0.267227 0.813059 0.624734 C\n0.721100 0.750000 0.773747 C\n0.221100 0.750000 0.726253 C\n0.278900 0.250000 0.226253 C\n0.778900 0.250000 0.273747 C\n",
"nsites": 52,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.0161496501694414,
"density_atomic": 0.05094953856694336,
"volume": 1020.61768295853,
"volume_molar": 11.819814132541001,
"formula_full": "C52",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -396.63443624,
"energy_per_atom": -7.627585312307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -396.63443624,
"band_gap": 0.5989,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0250677,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.549000Z",
"spacegroup": 62
},
{
"id": "mp-1190217",
"created_at": "2022-09-04T14:39:07.662289Z",
"structure_string": "Mo16\n1.0\n0.000000 -2.630631 0.000000\n0.108516 0.000000 -7.883749\n13.359265 0.000000 2.839927\nMo\n16\ndirect\n0.680222 0.943152 0.581609 Mo\n0.680222 0.056848 0.918391 Mo\n0.319778 0.056848 0.418391 Mo\n0.319778 0.943152 0.081609 Mo\n0.166498 0.825051 0.748431 Mo\n0.166498 0.174949 0.751569 Mo\n0.833502 0.174949 0.251569 Mo\n0.833502 0.825051 0.248431 Mo\n0.938614 0.717554 0.912488 Mo\n0.938614 0.282446 0.587512 Mo\n0.061386 0.282446 0.087512 Mo\n0.061386 0.717554 0.412488 Mo\n0.612436 0.606780 0.084084 Mo\n0.612436 0.393220 0.415916 Mo\n0.387564 0.393220 0.915916 Mo\n0.387564 0.606780 0.584084 Mo\n",
"nsites": 16,
"nelements": 1,
"elements": [
"Mo"
],
"chemical_system": "Mo",
"density": 9.173278605225205,
"density_atomic": 0.057580545143270156,
"volume": 277.87163112452805,
"volume_molar": 10.458637974016908,
"formula_full": "Mo16",
"formula_reduced": "Mo",
"formula_anonymous": "A",
"energy": -165.8686524,
"energy_per_atom": -10.366790775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.8686524,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005094,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.650000Z",
"spacegroup": 13
},
{
"id": "mp-555915",
"created_at": "2022-09-04T14:39:07.452658Z",
"structure_string": "S72\n1.0\n8.261497 0.000000 0.000000\n0.000000 12.498193 0.000000\n0.000000 0.000000 22.766623\nS\n72\ndirect\n0.020789 0.699438 0.766172 S\n0.654858 0.462224 0.757583 S\n0.877310 0.563798 0.605250 S\n0.472174 0.566242 0.732582 S\n0.154858 0.037776 0.242417 S\n0.340293 0.696179 0.260619 S\n0.345142 0.962224 0.742417 S\n0.104685 0.799152 0.106607 S\n0.127473 0.496054 0.156646 S\n0.527826 0.066242 0.767418 S\n0.470982 0.800955 0.434594 S\n0.622690 0.436202 0.105250 S\n0.529018 0.300955 0.065406 S\n0.520789 0.800562 0.233828 S\n0.659707 0.196179 0.239381 S\n0.025450 0.413344 0.087558 S\n0.343256 0.935909 0.597648 S\n0.159894 0.329681 0.905311 S\n0.319553 0.008941 0.942125 S\n0.006912 0.678027 0.911134 S\n0.525450 0.086656 0.912442 S\n0.198860 0.255745 0.559160 S\n0.840106 0.829681 0.594689 S\n0.482297 0.062584 0.567780 S\n0.377310 0.936202 0.394750 S\n0.474550 0.586656 0.587558 S\n0.029018 0.199045 0.934594 S\n0.438603 0.873029 0.673724 S\n0.840293 0.803821 0.739381 S\n0.561397 0.373029 0.826276 S\n0.845142 0.537776 0.257583 S\n0.438135 0.608863 0.329258 S\n0.113952 0.761329 0.843229 S\n0.061865 0.391137 0.829258 S\n0.493088 0.321973 0.411134 S\n0.122690 0.063798 0.894750 S\n0.979211 0.199438 0.733828 S\n0.613952 0.738671 0.156771 S\n0.993088 0.178027 0.588866 S\n0.819553 0.491059 0.057875 S\n0.938603 0.626971 0.326276 S\n0.938135 0.891137 0.670742 S\n0.895315 0.299152 0.393393 S\n0.886048 0.261329 0.656771 S\n0.061397 0.126971 0.173724 S\n0.801140 0.755745 0.940840 S\n0.698860 0.244255 0.440840 S\n0.386048 0.238671 0.343229 S\n0.970982 0.699045 0.565406 S\n0.627473 0.003946 0.843354 S\n0.872527 0.996054 0.343354 S\n0.301140 0.744255 0.059160 S\n0.517703 0.562584 0.932220 S\n0.680447 0.508941 0.557875 S\n0.159707 0.303821 0.760619 S\n0.843256 0.564091 0.402352 S\n0.982297 0.437416 0.432220 S\n0.656744 0.435909 0.902352 S\n0.561865 0.108863 0.170742 S\n0.479211 0.300562 0.266172 S\n0.017703 0.937416 0.067780 S\n0.972174 0.933758 0.267418 S\n0.027826 0.433758 0.232582 S\n0.180447 0.991059 0.442125 S\n0.659894 0.170319 0.094689 S\n0.506912 0.821973 0.088866 S\n0.395315 0.200848 0.606607 S\n0.340106 0.670319 0.405311 S\n0.156744 0.064091 0.097648 S\n0.604685 0.700848 0.893393 S\n0.974550 0.913344 0.412442 S\n0.372527 0.503946 0.656646 S\n",
"nsites": 72,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.630828324773996,
"density_atomic": 0.030628653455724165,
"volume": 2350.7399730804677,
"volume_molar": 19.661787511179426,
"formula_full": "S72",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -296.34232048,
"energy_per_atom": -4.115865562222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -296.34232048,
"band_gap": 2.491,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001469,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.305000Z",
"spacegroup": 19
},
{
"id": "mp-1102666",
"created_at": "2022-09-04T14:39:09.732781Z",
"structure_string": "Pb12\n1.0\n0.000000 0.000000 7.691092\n7.273267 0.000000 0.000000\n0.000000 7.273267 0.000000\nPb\n12\ndirect\n0.750000 0.341156 0.342564 Pb\n0.750000 0.158844 0.842564 Pb\n0.750000 0.658844 0.657436 Pb\n0.750000 0.841156 0.157436 Pb\n0.250000 0.657436 0.341156 Pb\n0.250000 0.842564 0.841156 Pb\n0.250000 0.342564 0.658844 Pb\n0.250000 0.157436 0.158844 Pb\n0.000000 0.000000 0.500000 Pb\n0.000000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 12,
"nelements": 1,
"elements": [
"Pb"
],
"chemical_system": "Pb",
"density": 10.14782634610308,
"density_atomic": 0.029494034114569554,
"volume": 406.8619420926282,
"volume_molar": 20.418165709739803,
"formula_full": "Pb12",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy": -43.16065786,
"energy_per_atom": -3.5967214883333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.16065786,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.17e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.797000Z",
"spacegroup": 140
},
{
"id": "mp-1182029",
"created_at": "2022-09-04T14:39:11.947349Z",
"structure_string": "C1\n1.0\n3.338824 0.000000 0.000000\n0.000000 1.282899 0.000000\n0.000000 0.446178 3.401506\nC\n1\ndirect\n0.000000 0.000000 0.000000 C\n",
"nsites": 1,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.3688636225225894,
"density_atomic": 0.0686345460208257,
"volume": 14.56992226183839,
"volume_molar": 8.774212272304835,
"formula_full": "C1",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -8.22625635,
"energy_per_atom": -8.22625635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.22625635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.805000Z",
"spacegroup": 10
}
]
}