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=50",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=48",
"results": [
{
"id": "mp-1061298",
"created_at": "2022-09-04T14:39:22.023188Z",
"structure_string": "N2\n1.0\n1.259737 -2.181928 0.000000\n1.259737 2.181928 0.000000\n0.000000 0.000000 2.446002\nN\n2\ndirect\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n",
"nsites": 2,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 3.4594560356260002,
"density_atomic": 0.14873832670629697,
"volume": 13.446433372544645,
"volume_molar": 4.048815724471268,
"formula_full": "N2",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -9.41235188,
"energy_per_atom": -4.70617594,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.41235188,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.416000Z",
"spacegroup": 194
},
{
"id": "mp-1079952",
"created_at": "2022-09-04T14:40:22.186963Z",
"structure_string": "Na8\n1.0\n4.528748 0.000000 0.000000\n0.000000 8.097230 0.000000\n0.000000 0.000000 8.682314\nNa\n8\ndirect\n0.250000 0.156071 0.420244 Na\n0.250000 0.656071 0.079756 Na\n0.750000 0.843929 0.579756 Na\n0.750000 0.343929 0.920244 Na\n0.250000 0.021003 0.833854 Na\n0.250000 0.521003 0.666146 Na\n0.750000 0.978997 0.166146 Na\n0.750000 0.478997 0.333854 Na\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 0.9592318230251274,
"density_atomic": 0.025126955348570623,
"volume": 318.38318208557206,
"volume_molar": 23.966854226700313,
"formula_full": "Na8",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -9.88970797,
"energy_per_atom": -1.23621349625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.88970797,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003784,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.519000Z",
"spacegroup": 62
},
{
"id": "mp-3",
"created_at": "2022-09-04T14:42:41.723442Z",
"structure_string": "Cs2\n1.0\n-2.572204 2.572204 9.304593\n2.572204 -2.572204 9.304593\n2.572204 2.572204 -9.304593\nCs\n2\ndirect\n0.250000 0.750000 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.7924774413130244,
"density_atomic": 0.008121977925001916,
"volume": 246.2454365756637,
"volume_molar": 74.14623402831495,
"formula_full": "Cs2",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -1.59801038,
"energy_per_atom": -0.79900519,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.59801038,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0200169,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.460000Z",
"spacegroup": 141
},
{
"id": "mp-975590",
"created_at": "2022-09-04T14:45:07.682193Z",
"structure_string": "Kr3\n1.0\n11.179084 -2.260239 0.000000\n11.179084 2.260239 0.000000\n10.722099 0.000000 3.888086\nKr\n3\ndirect\n0.000000 0.000000 0.000000 Kr\n0.777799 0.777799 0.777799 Kr\n0.222201 0.222201 0.222201 Kr\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Kr"
],
"chemical_system": "Kr",
"density": 2.1246018913575826,
"density_atomic": 0.01526844513370146,
"volume": 196.48366115408922,
"volume_molar": 39.44174215033565,
"formula_full": "Kr3",
"formula_reduced": "Kr",
"formula_anonymous": "A",
"energy": -0.16860712,
"energy_per_atom": -0.05620237333333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.16860712,
"band_gap": 7.0685,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.32e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.846000Z",
"spacegroup": 166
},
{
"id": "mp-570602",
"created_at": "2022-09-04T14:47:12.937481Z",
"structure_string": "B50\n1.0\n8.619604 0.000000 0.000000\n0.000000 8.619604 0.000000\n0.000000 0.000000 5.063369\nB\n50\ndirect\n0.128895 0.128895 0.115830 B\n0.917864 0.328914 0.903572 B\n0.727368 0.581257 0.093048 B\n0.418743 0.272632 0.093048 B\n0.918743 0.227368 0.593048 B\n0.254174 0.254174 0.584292 B\n0.772632 0.081257 0.593048 B\n0.227368 0.081257 0.406952 B\n0.628895 0.371105 0.615830 B\n0.000000 0.000000 0.500000 B\n0.328914 0.082136 0.096428 B\n0.917864 0.671086 0.096428 B\n0.272632 0.418743 0.093048 B\n0.871105 0.871105 0.115830 B\n0.871105 0.128895 0.884170 B\n0.328914 0.917864 0.903572 B\n0.171086 0.417864 0.403572 B\n0.745826 0.254174 0.415708 B\n0.582136 0.828914 0.403572 B\n0.082136 0.328914 0.096428 B\n0.245826 0.245826 0.915708 B\n0.082136 0.671086 0.903572 B\n0.245826 0.754174 0.084292 B\n0.254174 0.745826 0.415708 B\n0.754174 0.245826 0.084292 B\n0.227368 0.918743 0.593048 B\n0.371105 0.628895 0.615830 B\n0.745826 0.745826 0.584292 B\n0.918743 0.772632 0.406952 B\n0.128895 0.871105 0.884170 B\n0.171086 0.582136 0.596428 B\n0.418743 0.727368 0.906952 B\n0.581257 0.727368 0.093048 B\n0.581257 0.272632 0.906952 B\n0.772632 0.918743 0.406952 B\n0.828914 0.417864 0.596428 B\n0.727368 0.418743 0.906952 B\n0.417864 0.828914 0.596428 B\n0.828914 0.582136 0.403572 B\n0.628895 0.628895 0.384170 B\n0.671086 0.917864 0.096428 B\n0.272632 0.581257 0.906952 B\n0.081257 0.227368 0.406952 B\n0.417864 0.171086 0.403572 B\n0.500000 0.500000 0.000000 B\n0.582136 0.171086 0.596428 B\n0.754174 0.754174 0.915708 B\n0.371105 0.371105 0.384170 B\n0.671086 0.082136 0.903572 B\n0.081257 0.772632 0.593048 B\n",
"nsites": 50,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.386001776897418,
"density_atomic": 0.13290943075619213,
"volume": 376.1960284949196,
"volume_molar": 4.531010873898753,
"formula_full": "B50",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -322.79616126,
"energy_per_atom": -6.4559232252,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -322.79616126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.8533933,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.153000Z",
"spacegroup": 134
},
{
"id": "mp-1245307",
"created_at": "2022-09-04T14:40:11.239257Z",
"structure_string": "Al100\n1.0\n12.153519 0.100314 0.547480\n0.104362 12.174805 -0.268294\n0.555563 -0.275799 11.972385\nAl\n100\ndirect\n0.188257 0.892714 0.249337 Al\n0.245212 0.099107 0.173538 Al\n0.860240 0.458646 0.507826 Al\n0.704840 0.777073 0.812432 Al\n0.040338 0.300769 0.766166 Al\n0.797774 0.490674 0.044276 Al\n0.990660 0.471922 0.174093 Al\n0.435545 0.304283 0.632529 Al\n0.942220 0.677847 0.089502 Al\n0.234667 0.165153 0.951660 Al\n0.417502 0.271735 0.869739 Al\n0.520074 0.619094 0.315107 Al\n0.660223 0.935370 0.638127 Al\n0.081389 0.483431 0.416264 Al\n0.091117 0.016523 0.024185 Al\n0.816707 0.295863 0.910998 Al\n0.105778 0.672513 0.256325 Al\n0.368855 0.279310 0.095403 Al\n0.770887 0.075281 0.217687 Al\n0.151968 0.282093 0.298721 Al\n0.734232 0.655370 0.202167 Al\n0.556505 0.893752 0.958253 Al\n0.148568 0.878710 0.842379 Al\n0.307096 0.410794 0.413592 Al\n0.926254 0.323782 0.332043 Al\n0.999460 0.512900 0.683625 Al\n0.774415 0.857734 0.281677 Al\n0.112195 0.070087 0.396348 Al\n0.721609 0.256291 0.408864 Al\n0.231919 0.419766 0.851493 Al\n0.191612 0.625137 0.602846 Al\n0.377413 0.911627 0.120899 Al\n0.603731 0.240531 0.218661 Al\n0.006164 0.766216 0.703781 Al\n0.350158 0.681820 0.138854 Al\n0.580036 0.572239 0.079595 Al\n0.445799 0.085299 0.998799 Al\n0.631056 0.277509 0.796084 Al\n0.003683 0.458409 0.934404 Al\n0.995567 0.133573 0.209059 Al\n0.220188 0.017675 0.605201 Al\n0.388699 0.221423 0.301654 Al\n0.334940 0.799887 0.925399 Al\n0.940605 0.846045 0.918772 Al\n0.285071 0.819064 0.673123 Al\n0.866417 0.063890 0.924717 Al\n0.288384 0.631495 0.381162 Al\n0.533583 0.384438 0.419087 Al\n0.816940 0.816361 0.505744 Al\n0.105643 0.650658 0.852396 Al\n0.891964 0.103050 0.435975 Al\n0.331572 0.024027 0.378352 Al\n0.015054 0.692558 0.492513 Al\n0.241407 0.479213 0.220682 Al\n0.492744 0.830266 0.742302 Al\n0.587920 0.631616 0.672907 Al\n0.598585 0.346179 0.017217 Al\n0.486083 0.461711 0.788145 Al\n0.197386 0.829393 0.468881 Al\n0.450471 0.943770 0.542714 Al\n0.936124 0.914682 0.140892 Al\n0.824136 0.280410 0.136686 Al\n0.386445 0.483007 0.005573 Al\n0.834610 0.347119 0.694861 Al\n0.513613 0.662523 0.902352 Al\n0.505469 0.106219 0.708510 Al\n0.437580 0.715042 0.532854 Al\n0.562959 0.794890 0.168573 Al\n0.009630 0.946455 0.566560 Al\n0.080237 0.081106 0.800893 Al\n0.257639 0.205349 0.729106 Al\n0.160919 0.349043 0.066022 Al\n0.648576 0.408541 0.604440 Al\n0.849510 0.933691 0.736180 Al\n0.750733 0.828128 0.042453 Al\n0.536626 0.023599 0.241892 Al\n0.677704 0.019121 0.424113 Al\n0.873617 0.635279 0.870597 Al\n0.407118 0.512305 0.583920 Al\n0.174150 0.574335 0.038573 Al\n0.254719 0.212058 0.499306 Al\n0.134839 0.795033 0.054816 Al\n0.502831 0.154288 0.471984 Al\n0.324942 0.619475 0.784380 Al\n0.816279 0.641757 0.646227 Al\n0.711644 0.158038 0.609831 Al\n0.917244 0.135843 0.671863 Al\n0.339710 0.999364 0.813568 Al\n0.716681 0.442044 0.270561 Al\n0.682007 0.589266 0.458880 Al\n0.888514 0.616738 0.338861 Al\n0.007127 0.224516 0.988341 Al\n0.028299 0.281862 0.526605 Al\n0.609988 0.803398 0.424836 Al\n0.663982 0.112619 0.021149 Al\n0.468954 0.429257 0.215426 Al\n0.696224 0.506226 0.841830 Al\n0.984892 0.868047 0.353800 Al\n0.200551 0.401122 0.624559 Al\n0.398487 0.818831 0.331264 Al\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.5359413021109067,
"density_atomic": 0.05660090668694175,
"volume": 1766.7561502697754,
"volume_molar": 10.6396542255203,
"formula_full": "Al100",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -363.80262889,
"energy_per_atom": -3.6380262889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -363.80262889,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.663000Z",
"spacegroup": 1
},
{
"id": "mp-567379",
"created_at": "2022-09-04T14:48:18.633598Z",
"structure_string": "Bi4\n1.0\n4.658632 0.000000 0.000000\n0.000000 4.656154 0.000000\n0.000000 0.059357 6.456472\nBi\n4\ndirect\n0.250000 0.173683 0.236153 Bi\n0.250000 0.302467 0.734197 Bi\n0.750000 0.697533 0.265803 Bi\n0.750000 0.826317 0.763847 Bi\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.9113686866849,
"density_atomic": 0.02856136622195172,
"volume": 140.0493228830796,
"volume_molar": 21.08491839361486,
"formula_full": "Bi4",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -15.31059097,
"energy_per_atom": -3.8276477425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.31059097,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.49e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:00.673000Z",
"spacegroup": 11
},
{
"id": "mp-46",
"created_at": "2022-09-04T14:39:08.433028Z",
"structure_string": "Ti2\n1.0\n1.466907 -2.540757 0.000000\n1.466907 2.540757 0.000000\n0.000000 0.000000 4.657009\nTi\n2\ndirect\n0.333333 0.666667 0.250000 Ti\n0.666667 0.333333 0.750000 Ti\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.579441525890857,
"density_atomic": 0.05761389157589635,
"volume": 34.713850172147204,
"volume_molar": 10.452584602911035,
"formula_full": "Ti2",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -15.78211434,
"energy_per_atom": -7.89105717,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.78211434,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002238,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.339000Z",
"spacegroup": 194
},
{
"id": "mp-567313",
"created_at": "2022-09-04T14:43:00.719219Z",
"structure_string": "Te3\n1.0\n2.253370 -3.902951 0.000000\n2.253370 3.902951 0.000000\n0.000000 0.000000 5.962127\nTe\n3\ndirect\n0.000000 0.269108 0.333333 Te\n0.269108 0.000000 0.666667 Te\n0.730892 0.730892 0.000000 Te\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.0612779692512415,
"density_atomic": 0.02860648050856755,
"volume": 104.87134197097436,
"volume_molar": 21.051666101310115,
"formula_full": "Te3",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -9.42984729,
"energy_per_atom": -3.1432824299999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.42984729,
"band_gap": 0.5124000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.31e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.070000Z",
"spacegroup": 154
},
{
"id": "mp-34",
"created_at": "2022-09-04T14:44:07.263097Z",
"structure_string": "Si1\n1.0\n1.324762 -2.294556 0.000000\n1.324762 2.294556 0.000000\n0.000000 0.000000 2.476905\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.097101142265708,
"density_atomic": 0.06640857037662255,
"volume": 15.05829736024591,
"volume_molar": 9.06831863093373,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -5.1200173,
"energy_per_atom": -5.1200173,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.1200173,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001319,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.599000Z",
"spacegroup": 191
},
{
"id": "mp-981544",
"created_at": "2022-09-04T14:47:13.205448Z",
"structure_string": "Pr3\n1.0\n9.118774 -1.871705 0.000000\n9.118774 1.871705 0.000000\n8.734591 0.000000 3.219043\nPr\n3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.222719 0.222719 0.222719 Pr\n0.777281 0.777281 0.777281 Pr\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.388138121383007,
"density_atomic": 0.027301758970918143,
"volume": 109.88302999801597,
"volume_molar": 22.057702459445157,
"formula_full": "Pr3",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy": -14.331083189999998,
"energy_per_atom": -4.7770277299999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.331083189999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0247288,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.147000Z",
"spacegroup": 166
},
{
"id": "mp-1080106",
"created_at": "2022-09-04T14:42:51.799059Z",
"structure_string": "Ge8\n1.0\n-3.523808 3.523808 3.523808\n3.523808 -3.523808 3.523808\n3.523808 3.523808 -3.523808\nGe\n8\ndirect\n0.500000 0.000000 0.798226 Ge\n0.798226 0.500000 0.000000 Ge\n0.000000 0.798226 0.500000 Ge\n0.701774 0.701774 0.701774 Ge\n0.500000 0.000000 0.201774 Ge\n0.201774 0.500000 0.000000 Ge\n0.000000 0.201774 0.500000 Ge\n0.298226 0.298226 0.298226 Ge\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 5.51338368875929,
"density_atomic": 0.04570811212702437,
"volume": 175.0236364557725,
"volume_molar": 13.17521218829662,
"formula_full": "Ge8",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -35.81940783,
"energy_per_atom": -4.47742597875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.81940783,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.930000Z",
"spacegroup": 206
}
]
}