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{
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"results": [
{
"id": "jvasp-37423",
"created_at": "2022-09-04T14:37:57.078315Z",
"updated_at": "2022-09-04T14:37:57.078337Z",
"structure_string": "W2 S2 Cl8\n1.0\n5.965910 0.167321 -1.065265\n1.417494 7.046093 -0.079845\n0.356041 1.623137 7.470708\nW S Cl\n2 2 8\ndirect\n0.850875 0.757848 0.781865 W\n0.149124 0.242152 0.218137 W\n0.613999 0.035328 0.706454 S\n0.386001 -0.035328 0.293547 S\n0.179900 0.832737 0.896129 Cl\n-0.000805 0.738216 0.522054 Cl\n0.804348 0.654258 0.085509 Cl\n0.625197 0.555784 0.710794 Cl\n0.374802 0.444215 0.289208 Cl\n0.195652 0.345741 0.914492 Cl\n0.000804 0.261784 0.477946 Cl\n0.820099 0.167263 0.103872 Cl\n",
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{
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"structure_string": "H14 S2 N4 O8\n1.0\n5.437647 -0.019383 1.517336\n1.885072 5.040786 1.622585\n0.042706 -0.038338 8.367961\nH S N O\n14 2 4 8\ndirect\n0.799069 0.802247 0.964950 H\n0.075751 0.219730 0.505210 H\n0.182518 0.870145 0.364340 H\n0.817483 0.129856 0.635661 H\n0.183270 0.760723 0.579749 H\n0.816731 0.239278 0.420252 H\n0.232494 0.400093 0.846271 H\n0.924249 0.780271 0.494790 H\n0.340205 0.068970 0.858136 H\n0.659796 0.931031 0.141865 H\n0.007976 0.249233 0.889863 H\n0.992024 0.750767 0.110137 H\n0.200931 0.197754 0.035051 H\n0.767507 0.599908 0.153730 H\n0.588038 0.631051 0.722154 S\n0.411963 0.368950 0.277847 S\n0.192158 0.226277 0.908204 N\n0.807843 0.773724 0.091797 N\n0.066280 0.867298 0.485033 N\n0.933720 0.132703 0.514967 N\n0.656086 0.813905 0.785019 O\n0.683248 0.660952 0.535481 O\n0.316752 0.339049 0.464520 O\n0.706679 0.352630 0.808582 O\n0.293322 0.647371 0.191418 O\n0.295422 0.703376 0.757786 O\n0.704578 0.296625 0.242214 O\n0.343914 0.186095 0.214981 O\n",
"nsites": 28,
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"formula_full": "H14 S2 N4 O8",
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{
"id": "jvasp-10107",
"created_at": "2022-09-04T14:37:57.627772Z",
"updated_at": "2022-09-04T14:37:57.627798Z",
"structure_string": "Tl4 Ge2 S6\n1.0\n6.733409 0.002300 -0.011643\n-2.727040 -6.270253 0.086501\n-3.098460 1.256809 -7.792529\nTl Ge S\n4 2 6\ndirect\n0.260083 0.687986 0.886648 Tl\n0.739917 0.312013 0.113352 Tl\n0.884239 0.057985 0.672185 Tl\n0.115761 0.942015 0.327815 Tl\n0.429637 0.548959 0.313609 Ge\n0.570363 0.451041 0.686391 Ge\n0.516537 0.884042 0.266854 S\n0.483463 0.115957 0.733146 S\n0.763680 0.707370 0.913635 S\n0.235284 0.470689 0.496640 S\n0.764715 0.529310 0.503360 S\n0.236320 0.292630 0.086365 S\n",
"nsites": 12,
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"elements": [
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"density_atomic": 0.036531175971435854,
"volume": 328.486551031999,
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"spacegroup": 2
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{
"id": "jvasp-29401",
"created_at": "2022-09-04T14:37:58.244342Z",
"updated_at": "2022-09-04T14:37:58.244359Z",
"structure_string": "Al2 H6 O6\n1.0\n4.949894 -0.014454 -0.751816\n-2.790081 3.976574 -1.541081\n0.127782 -0.208857 5.355357\nAl H O\n2 6 6\ndirect\n0.169234 0.335488 0.002736 Al\n0.830765 0.664511 0.997264 Al\n0.562252 0.876166 0.792359 H\n0.090849 0.665239 0.426147 H\n0.437747 0.123833 0.207640 H\n0.909150 0.334760 0.573852 H\n0.670830 0.792460 0.425732 H\n0.329169 0.207539 0.574267 H\n0.240064 0.120023 0.212209 O\n0.037613 0.503283 0.776359 O\n0.962386 0.496716 0.223641 O\n0.400389 0.239768 0.770723 O\n0.759935 0.879976 0.787791 O\n0.599610 0.760232 0.229277 O\n",
"nsites": 14,
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"density_atomic": 0.13519985552496194,
"volume": 103.55040651219616,
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"formula_full": "Al2 H6 O6",
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{
"id": "jvasp-53106",
"created_at": "2022-09-04T14:37:58.307441Z",
"updated_at": "2022-09-04T14:37:58.307466Z",
"structure_string": "Tl2 Sb2 S4\n1.0\n-6.191077 -0.205568 0.267248\n-0.345549 -6.186168 -0.251516\n2.251324 3.019072 5.903122\nTl Sb S\n2 2 4\ndirect\n0.003203 0.012846 0.982064 Tl\n0.746295 0.238163 0.524045 Tl\n0.471972 0.512129 -0.009680 Sb\n0.277496 0.738905 0.515775 Sb\n0.095993 0.560369 0.068033 S\n0.653482 0.690658 0.438066 S\n0.524380 0.906109 0.998911 S\n0.225108 0.344927 0.507191 S\n",
"nsites": 8,
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"density": 5.772807386372875,
"density_atomic": 0.03563109100532277,
"volume": 224.52301555416634,
"volume_molar": 16.90136504408574,
"formula_full": "Tl2 Sb2 S4",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-29400",
"created_at": "2022-09-04T14:37:57.825598Z",
"updated_at": "2022-09-04T14:37:57.825617Z",
"structure_string": "Y4 Te10 O26\n1.0\n6.961686 -0.002690 0.369834\n2.225428 8.356790 0.130833\n-0.018483 -0.018918 10.560326\nY Te O\n4 10 26\ndirect\n0.998367 0.736390 0.238397 Y\n0.001634 0.263609 0.761603 Y\n0.554226 0.529141 0.179585 Y\n0.445775 0.470858 0.820415 Y\n0.726316 0.606794 0.520531 Te\n0.874978 0.653957 0.892827 Te\n0.566110 0.091185 0.695220 Te\n0.125024 0.346043 0.107173 Te\n0.709350 0.117282 0.029047 Te\n0.433892 0.908815 0.304779 Te\n0.843416 0.197231 0.367087 Te\n0.290652 0.882717 0.970953 Te\n0.273685 0.393206 0.479469 Te\n0.156585 0.802769 0.632912 Te\n0.686957 0.262264 0.710479 O\n0.661645 0.488185 0.385285 O\n0.933506 0.732185 0.718022 O\n0.878504 0.511666 0.107665 O\n0.059852 0.017373 0.684772 O\n0.058941 0.820693 0.034462 O\n0.941061 0.179307 0.965538 O\n0.668506 0.780517 0.223319 O\n0.538503 0.810225 0.486838 O\n0.533266 0.325164 0.002529 O\n0.338356 0.511815 0.614714 O\n0.466735 0.674836 0.997470 O\n0.121497 0.488334 0.892334 O\n0.331495 0.219483 0.776681 O\n0.238182 0.495009 0.186601 O\n0.655494 0.009251 0.875358 O\n0.066495 0.267815 0.281977 O\n0.761820 0.504990 0.813399 O\n0.940149 0.982626 0.315228 O\n0.328456 0.743028 0.770144 O\n0.955623 0.650792 0.437600 O\n0.044378 0.349208 0.562400 O\n0.313045 0.737736 0.289520 O\n0.461499 0.189774 0.513161 O\n0.671546 0.256972 0.229855 O\n0.344508 0.990749 0.124641 O\n",
"nsites": 40,
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],
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"formula_full": "Y4 Te10 O26",
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"spacegroup": 2
},
{
"id": "jvasp-29958",
"created_at": "2022-09-04T14:37:57.838863Z",
"updated_at": "2022-09-04T14:37:57.838883Z",
"structure_string": "Ba2 Bi6 O11\n1.0\n4.055649 0.476122 -1.850416\n-1.507626 3.878505 -1.838447\n-5.517761 -9.027400 29.445984\nBa Bi O\n2 6 11\ndirect\n0.087148 0.126295 0.267787 Ba\n-0.087149 0.873705 0.107213 Ba\n0.018618 0.101220 0.885863 Bi\n0.034082 0.047811 0.760460 Bi\n0.071103 0.026637 0.378894 Bi\n-0.034082 -0.047812 0.614540 Bi\n-0.018618 -0.101221 0.489137 Bi\n-0.071103 -0.026637 -0.003894 Bi\n0.555316 0.455313 0.256501 O\n0.503691 0.033383 0.360834 O\n0.248820 -0.394394 0.395422 O\n0.267931 0.572284 0.538318 O\n-0.000001 0.500000 0.687500 O\n0.135746 0.875289 0.816914 O\n0.751179 0.394393 0.979577 O\n0.444683 0.544687 0.118499 O\n0.732067 0.427716 0.836682 O\n-0.135747 0.124711 0.558086 O\n0.496307 0.966617 0.014166 O\n",
"nsites": 19,
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"elements": [
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],
"chemical_system": "Ba-Bi-O",
"density": 7.927193320171005,
"density_atomic": 0.053213197353527114,
"volume": 357.05428248882754,
"volume_molar": 11.317006042676436,
"formula_full": "Ba2 Bi6 O11",
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"energy_above_hull": 2.0023555915789477,
"spacegroup": 2
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{
"id": "jvasp-35175",
"created_at": "2022-09-04T14:37:58.637618Z",
"updated_at": "2022-09-04T14:37:58.637640Z",
"structure_string": "Mg8 Si4 O16\n1.0\n5.076796 0.006411 0.002084\n-1.745306 5.489846 0.000917\n-1.585459 -0.886856 9.834503\nMg Si O\n8 4 16\ndirect\n0.012685 0.315527 0.888471 Mg\n0.974200 0.986685 0.079496 Mg\n0.992755 0.267170 0.340922 Mg\n0.493461 0.151104 0.483983 Mg\n0.447403 0.851106 0.205850 Mg\n0.994156 0.035054 0.627051 Mg\n0.539486 0.451110 0.762118 Mg\n0.493454 0.651107 0.483985 Mg\n0.611842 0.399859 0.089437 Si\n0.375047 0.902362 0.878534 Si\n0.984200 0.756067 0.354621 Si\n0.002705 0.546158 0.613352 Si\n0.759528 0.939062 0.414295 O\n0.716456 0.978292 0.904451 O\n0.227375 0.363163 0.553678 O\n0.782653 0.479859 0.433860 O\n0.250529 0.838240 0.017703 O\n0.204253 0.822364 0.534112 O\n0.207420 0.602002 0.311545 O\n0.199577 0.028871 0.304767 O\n0.787327 0.273351 0.663206 O\n0.262246 0.112663 0.798747 O\n0.736364 0.463983 0.950268 O\n0.240799 0.625615 0.775851 O\n0.779483 0.700222 0.656426 O\n0.724651 0.189559 0.169226 O\n0.746101 0.676609 0.192121 O\n0.270440 0.323931 0.063521 O\n",
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"volume": 274.23126751085124,
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"formula_full": "Mg8 Si4 O16",
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"spacegroup": 2
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{
"id": "jvasp-40668",
"created_at": "2022-09-04T14:37:58.684554Z",
"updated_at": "2022-09-04T14:37:58.684573Z",
"structure_string": "Li4 V2 H4 O2 F10\n1.0\n5.793814 -0.286755 0.058545\n1.934168 4.835033 0.134413\n0.707636 0.447280 7.653552\nLi V H O F\n4 2 4 2 10\ndirect\n0.703310 0.784445 0.445441 Li\n0.774529 0.667660 0.027625 Li\n0.236341 0.334982 -0.034192 Li\n0.307687 0.218153 0.547984 Li\n0.766147 0.226933 0.750044 V\n0.244779 0.775664 0.243384 V\n0.209468 0.909875 0.812112 H\n0.159748 0.805155 0.634473 H\n0.851202 0.197461 0.358981 H\n0.801455 0.092783 0.181337 H\n0.885303 0.032611 0.293046 O\n0.125649 0.970023 0.700387 O\n0.385823 0.001129 0.356027 F\n0.267964 0.970258 0.015761 F\n0.924873 0.448065 0.849520 F\n0.211242 0.590351 0.474964 F\n0.435666 0.457928 0.801406 F\n0.575229 0.544620 0.191983 F\n0.799660 0.412254 0.518453 F\n0.085998 0.554577 0.143895 F\n0.742961 0.032361 0.977665 F\n0.625164 0.001419 0.637399 F\n",
"nsites": 22,
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],
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"density": 2.707628460394736,
"density_atomic": 0.10086156107576275,
"volume": 218.12075646414567,
"volume_molar": 5.970699536839841,
"formula_full": "Li4 V2 H4 O2 F10",
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"formula_anonymous": "ABC2D2E5",
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"spacegroup": 2
},
{
"id": "jvasp-10106",
"created_at": "2022-09-04T14:37:58.723226Z",
"updated_at": "2022-09-04T14:37:58.723251Z",
"structure_string": "K8 Sn2 O8\n1.0\n6.527295 0.003500 0.006656\n2.522526 6.013369 0.043233\n3.092260 0.575052 9.275091\nK Sn O\n8 2 8\ndirect\n0.590709 0.242184 0.170535 K\n0.409293 0.757816 0.829465 K\n0.513241 0.774421 0.439142 K\n0.486761 0.225578 0.560858 K\n0.239851 0.258979 0.974612 K\n0.760150 0.741021 0.025388 K\n0.962326 0.720597 0.616347 K\n0.037675 0.279402 0.383653 K\n0.154558 0.780225 0.246712 Sn\n0.845443 0.219775 0.753288 Sn\n0.701357 0.469558 0.621343 O\n0.298644 0.530442 0.378657 O\n0.160161 0.031804 0.643102 O\n0.839840 0.968196 0.356898 O\n0.650575 0.028775 0.807430 O\n0.349426 0.971225 0.192570 O\n0.842898 0.365702 0.915568 O\n0.157104 0.634298 0.084432 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 3.0964614994775963,
"density_atomic": 0.04949146186855644,
"volume": 363.69909718581164,
"volume_molar": 12.168039764099321,
"formula_full": "K8 Sn2 O8",
"formula_reduced": "K4SnO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 2
},
{
"id": "jvasp-31892",
"created_at": "2022-09-04T14:37:59.014536Z",
"updated_at": "2022-09-04T14:37:59.014564Z",
"structure_string": "Mo2 Cl10\n1.0\n6.028434 -0.010533 -0.064272\n-2.928274 5.499840 -2.082154\n0.031870 0.005100 9.011038\nMo Cl\n2 10\ndirect\n0.106652 0.718415 0.719848 Mo\n0.893348 0.281585 0.280153 Mo\n0.248749 0.689148 0.454621 Cl\n0.122199 0.117461 0.351214 Cl\n0.751252 0.310852 0.545380 Cl\n0.450069 0.082882 0.839051 Cl\n0.877801 0.882540 0.648787 Cl\n0.549931 0.917119 0.160950 Cl\n0.072710 0.312485 0.063221 Cl\n0.308769 0.503159 0.743853 Cl\n0.691232 0.496842 0.256148 Cl\n0.927290 0.687516 0.936780 Cl\n",
"nsites": 12,
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"elements": [
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],
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"density": 3.038999412298112,
"density_atomic": 0.04019241720336239,
"volume": 298.56377981158374,
"volume_molar": 14.983275898858365,
"formula_full": "Mo2 Cl10",
"formula_reduced": "MoCl5",
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},
{
"id": "jvasp-30322",
"created_at": "2022-09-04T14:37:59.258194Z",
"updated_at": "2022-09-04T14:37:59.258211Z",
"structure_string": "Mn2 P4 O14\n1.0\n4.956428 0.102701 -0.138757\n-1.617272 6.001792 -0.126459\n-1.092843 -3.667994 7.912175\nMn P O\n2 4 14\ndirect\n0.078167 0.594018 0.364367 Mn\n0.921834 0.405982 0.635633 Mn\n0.244104 0.127151 0.363337 P\n0.605195 0.691928 0.879311 P\n0.394806 0.308072 0.120689 P\n0.755897 0.872850 0.636663 P\n0.693314 0.456702 0.252687 O\n0.810501 0.532579 0.830916 O\n0.627237 0.802992 0.063663 O\n0.538626 0.243491 0.493187 O\n0.268638 0.091497 0.179588 O\n0.731363 0.908503 0.820413 O\n0.189501 0.467421 0.169084 O\n0.372765 0.197009 0.936337 O\n0.942794 0.694845 0.587917 O\n0.306687 0.543299 0.747313 O\n0.057208 0.305155 0.412083 O\n0.066611 0.880977 0.348148 O\n0.461376 0.756510 0.506813 O\n0.933390 0.119024 0.651852 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Mn-O-P",
"density": 3.267096694609672,
"density_atomic": 0.08596119581174565,
"volume": 232.6631198081498,
"volume_molar": 7.0056502857271115,
"formula_full": "Mn2 P4 O14",
"formula_reduced": "MnP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 3.0439632741379308,
"spacegroup": 2
}
]
}