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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4360",
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"results": [
{
"id": "jvasp-48683",
"created_at": "2022-09-04T14:36:16.770473Z",
"updated_at": "2022-09-04T14:36:16.770502Z",
"structure_string": "V8 O8 F8\n1.0\n-4.631609 0.006001 0.000000\n-0.005955 4.666750 -6.125159\n0.005955 -4.666750 -6.125159\nV O F\n8 8 8\ndirect\n0.433194 0.134529 0.615471 V\n0.523880 0.887262 0.361301 V\n0.553639 0.607883 0.142117 V\n0.523879 0.388699 0.862738 V\n0.988923 0.503579 0.514782 V\n0.987741 0.755829 0.766519 V\n0.988923 0.235218 0.246421 V\n0.987741 0.983481 0.994172 V\n0.193823 0.977108 0.772892 O\n0.299812 0.099457 0.395896 O\n0.299812 0.354104 0.650543 O\n0.704209 0.396783 0.099033 O\n0.704209 0.650967 0.353218 O\n0.806690 0.024573 0.210113 O\n0.806690 0.539887 0.725427 O\n0.791996 0.768579 0.981421 O\n0.792437 0.273882 0.476118 F\n0.701812 0.913016 0.596351 F\n0.701811 0.153649 0.836984 F\n0.296617 0.596952 0.913292 F\n0.296618 0.836709 0.153048 F\n0.207787 0.215930 0.018879 F\n0.207787 0.731121 0.534070 F\n0.199973 0.470802 0.279198 F\n",
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{
"id": "jvasp-43156",
"created_at": "2022-09-04T14:36:16.787406Z",
"updated_at": "2022-09-04T14:36:16.787423Z",
"structure_string": "Li4 Cr3 Sn3 Sb2 O16\n1.0\n6.147617 -0.021813 0.033715\n-3.092700 5.356767 -0.000010\n0.052603 0.030356 10.106848\nLi Cr Sn Sb O\n4 3 3 2 16\ndirect\n0.345584 0.672807 0.891477 Li\n0.977576 0.988798 0.991164 Li\n0.980697 0.990357 0.499888 Li\n0.669474 0.334747 0.397357 Li\n0.661427 0.830725 0.215451 Cr\n0.832331 0.661927 0.717082 Cr\n0.832330 0.170427 0.717081 Cr\n0.167884 0.336105 0.215753 Sn\n0.335745 0.167884 0.716401 Sn\n0.167887 0.831807 0.215754 Sn\n0.345146 0.672584 0.506042 Sb\n0.679874 0.339950 0.988910 Sb\n0.305526 0.152771 0.093724 O\n0.840804 0.699023 0.103228 O\n0.678238 0.339128 0.611259 O\n0.526649 0.032377 0.833351 O\n0.526651 0.494299 0.833352 O\n0.693463 0.846740 0.613711 O\n0.497365 0.522269 0.325840 O\n0.017976 0.509003 0.331686 O\n0.143951 0.303076 0.602296 O\n0.987662 0.993845 0.813044 O\n0.987045 0.993538 0.318450 O\n0.344356 0.672185 0.103779 O\n0.972258 0.486142 0.820392 O\n0.143949 0.840895 0.602296 O\n0.497363 0.975119 0.325843 O\n0.840798 0.141799 0.103229 O\n",
"nsites": 28,
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"elements": [
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"Sb",
"O"
],
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"density": 5.196496090133481,
"density_atomic": 0.08430238791198598,
"volume": 332.1376854619204,
"volume_molar": 7.143499619829608,
"formula_full": "Li4 Cr3 Sn3 Sb2 O16",
"formula_reduced": "Li4Cr3Sn3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
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"spacegroup": 8
},
{
"id": "jvasp-42790",
"created_at": "2022-09-04T14:36:17.406755Z",
"updated_at": "2022-09-04T14:36:17.406785Z",
"structure_string": "Li4 Co2 O1 F7\n1.0\n-4.168579 4.168579 0.017934\n4.114457 -0.036457 4.217276\n4.077999 4.077999 -0.000000\nLi Co O F\n4 2 1 7\ndirect\n0.006883 -0.000495 0.000248 Li\n0.255142 0.523198 0.238401 Li\n0.625929 0.744739 0.627631 Li\n0.113262 0.742441 0.628780 Li\n0.637546 0.250092 0.153879 Co\n0.637546 0.250092 0.596028 Co\n0.862559 0.242110 0.378945 O\n0.355559 0.232527 0.383737 F\n0.854491 0.721661 0.397937 F\n0.872868 0.263009 0.868495 F\n0.412545 0.256247 0.871877 F\n0.854491 0.721661 0.880403 F\n0.380588 0.776359 0.378202 F\n0.380588 0.776359 0.845440 F\n",
"nsites": 14,
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"elements": [
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"F"
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"chemical_system": "Co-F-Li-O",
"density": 3.4048154003151017,
"density_atomic": 0.09743440314105145,
"volume": 143.68641412759334,
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"formula_full": "Li4 Co2 O1 F7",
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"formula_anonymous": "AB2C4D7",
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{
"id": "jvasp-96087",
"created_at": "2022-09-04T14:36:17.641407Z",
"updated_at": "2022-09-04T14:36:17.641433Z",
"structure_string": "Na4 C1 O4\n1.0\n6.272266 -0.091351 0.092614\n-0.591848 4.770986 1.103194\n0.591394 1.192069 4.750124\nNa C O\n4 1 4\ndirect\n0.421361 0.787068 0.548710 Na\n0.903458 0.895272 0.425154 Na\n0.421344 0.451285 0.212921 Na\n0.903443 0.574873 0.104736 Na\n0.660156 0.160601 0.839396 C\n0.681777 0.177359 0.091227 O\n0.170455 0.694826 0.305181 O\n0.617797 0.390217 0.609782 O\n0.681781 0.908750 0.822638 O\n",
"nsites": 9,
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"elements": [
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],
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"density": 2.093097497503347,
"density_atomic": 0.06753951378753546,
"volume": 133.25532707137975,
"volume_molar": 8.916470407152083,
"formula_full": "Na4 C1 O4",
"formula_reduced": "Na4CO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 8
},
{
"id": "jvasp-85357",
"created_at": "2022-09-04T14:36:18.215868Z",
"updated_at": "2022-09-04T14:36:18.215898Z",
"structure_string": "Cu2 O4\n1.0\n2.955786 0.050816 0.574166\n-1.496921 3.034224 -0.469847\n1.662348 -0.533542 7.276154\nCu O\n2 4\ndirect\n0.062894 0.133230 0.837388 Cu\n0.064281 0.911781 0.225467 Cu\n0.361623 0.747896 0.845463 O\n0.326711 0.814237 0.414341 O\n0.824706 0.232226 0.125408 O\n0.358697 0.162496 0.556670 O\n",
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"elements": [
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"O"
],
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"density": 5.069554278534734,
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"volume": 62.59164585030949,
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"formula_full": "Cu2 O4",
"formula_reduced": "CuO2",
"formula_anonymous": "AB2",
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"spacegroup": 8
},
{
"id": "jvasp-48125",
"created_at": "2022-09-04T14:36:18.416418Z",
"updated_at": "2022-09-04T14:36:18.416450Z",
"structure_string": "Li1 V3 O8\n1.0\n6.435933 -0.323700 -0.248777\n1.073536 3.249914 -0.000000\n-2.094908 0.692006 6.921211\nLi V O\n1 3 8\ndirect\n0.374088 0.312956 0.277703 Li\n0.201300 0.399350 0.755983 V\n0.607995 0.696002 0.671986 V\n0.811688 0.594155 0.225723 V\n0.092344 0.453828 0.338358 O\n0.266944 0.366528 0.991960 O\n0.248755 0.875623 0.691386 O\n0.534440 0.232781 0.724585 O\n0.482460 0.758770 0.430115 O\n0.717043 0.141478 0.270778 O\n0.894623 0.552688 0.667882 O\n0.762363 0.618819 0.983863 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Li-O-V",
"density": 3.2888056664591803,
"density_atomic": 0.08259217049116382,
"volume": 145.2922223576123,
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"formula_full": "Li1 V3 O8",
"formula_reduced": "LiV3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.1615850500000007,
"spacegroup": 8
},
{
"id": "jvasp-43973",
"created_at": "2022-09-04T14:36:19.137442Z",
"updated_at": "2022-09-04T14:36:19.137471Z",
"structure_string": "Mn6 O5 F7\n1.0\n-4.620882 4.620882 3.089839\n0.045781 4.691112 -3.125970\n-4.691112 -0.045781 -3.125970\nMn O F\n6 5 7\ndirect\n0.830422 0.694913 0.694913 Mn\n0.669933 0.339004 0.339004 Mn\n0.313618 0.648322 0.648322 Mn\n0.164984 0.329907 0.329907 Mn\n0.514366 0.979900 0.979900 Mn\n-0.001207 0.008586 0.008586 Mn\n0.671085 0.644675 0.029944 O\n0.371492 0.425936 0.425936 O\n0.032064 0.776539 0.776539 O\n0.964274 0.233921 0.233921 O\n0.671085 0.029944 0.644675 O\n0.344937 0.333825 0.957847 F\n0.300816 0.880971 0.880971 F\n0.629781 0.580732 0.580732 F\n0.697027 0.105610 0.105610 F\n0.344937 0.957847 0.333825 F\n0.990193 0.326028 0.703333 F\n0.990193 0.703333 0.326028 F\n",
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"elements": [
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],
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"density": 4.398785303208777,
"density_atomic": 0.08787495269368072,
"volume": 204.8365256337079,
"volume_molar": 6.85307994530854,
"formula_full": "Mn6 O5 F7",
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{
"id": "jvasp-96825",
"created_at": "2022-09-04T14:36:21.022884Z",
"updated_at": "2022-09-04T14:36:21.022918Z",
"structure_string": "K17 Fe5 O16\n1.0\n6.659178 -0.018022 0.595612\n3.181054 5.734153 1.211381\n-0.008837 -0.005048 18.400229\nK Fe O\n17 5 16\ndirect\n0.880614 0.083563 0.832982 K\n0.474848 0.684565 0.723328 K\n0.001464 0.499378 0.905846 K\n0.001459 0.405235 0.094154 K\n0.022858 0.310045 0.280232 K\n0.474839 0.407912 0.276671 K\n0.880600 0.916565 0.167019 K\n0.004431 0.208281 0.468445 K\n0.458261 0.782738 0.547414 K\n0.456344 0.588667 0.907657 K\n0.608138 0.164891 0.664112 K\n0.582364 0.994170 0.000003 K\n0.456341 0.496339 0.092341 K\n0.022879 0.590257 0.719770 K\n0.608120 0.829024 0.335889 K\n0.458254 0.330153 0.452586 K\n0.004432 0.676723 0.531559 K\n0.391523 0.908056 0.179843 Fe\n0.391539 0.087876 0.820157 Fe\n0.082927 0.178863 0.640673 Fe\n0.073663 0.997462 -0.000002 Fe\n0.082924 0.819531 0.359326 Fe\n0.787970 0.266560 -0.000001 O\n0.247520 0.040541 0.914234 O\n0.801034 0.083712 0.372827 O\n0.299555 0.788518 0.425562 O\n0.063563 0.541413 0.376774 O\n0.801035 0.456541 0.627170 O\n0.299563 0.214082 0.574439 O\n0.192614 0.123378 0.743435 O\n0.677662 0.824197 0.812321 O\n0.063570 0.918185 0.623227 O\n0.410321 0.361956 0.812183 O\n0.677646 0.636540 0.187677 O\n0.192601 0.866835 0.256566 O\n0.410302 0.174167 0.187815 O\n0.056676 0.725541 -0.000003 O\n0.247495 0.954778 0.085769 O\n",
"nsites": 38,
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"elements": [
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],
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"density": 2.831304759007223,
"density_atomic": 0.053998407379821624,
"volume": 703.7244586254227,
"volume_molar": 11.152441437097611,
"formula_full": "K17 Fe5 O16",
"formula_reduced": "K17Fe5O16",
"formula_anonymous": "A5B16C17",
"energy_above_hull": 1.3231415657894734,
"spacegroup": 8
},
{
"id": "jvasp-99613",
"created_at": "2022-09-04T14:36:21.069891Z",
"updated_at": "2022-09-04T14:36:21.069901Z",
"structure_string": "Sr2 Zn3 Cd1\n1.0\n4.677153 0.043537 3.883742\n2.149693 4.154091 3.883742\n0.006207 0.003816 7.834907\nSr Zn Cd\n2 3 1\ndirect\n0.452803 0.452805 0.795465 Sr\n0.546390 0.546391 0.203109 Sr\n0.175845 0.175845 0.389169 Zn\n0.153380 0.153380 0.788869 Zn\n0.835394 0.835396 0.217643 Zn\n0.836185 0.836187 0.605745 Cd\n",
"nsites": 6,
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"elements": [
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],
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"volume": 151.35708217816244,
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"formula_full": "Sr2 Zn3 Cd1",
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"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-96943",
"created_at": "2022-09-04T14:36:21.654732Z",
"updated_at": "2022-09-04T14:36:21.654758Z",
"structure_string": "Na8 Cu5 O10\n1.0\n5.583590 -0.006079 -1.073363\n-2.305489 6.738968 -3.947634\n0.011447 -0.016981 8.143240\nNa Cu O\n8 5 10\ndirect\n0.402243 0.269537 0.537006 Na\n0.367872 0.737700 0.959944 Na\n0.088865 0.518498 0.518498 Na\n0.142692 0.855573 0.298760 Na\n0.402243 0.537006 0.269537 Na\n0.367872 0.959943 0.737701 Na\n0.142692 0.298760 0.855573 Na\n0.142765 0.086530 0.086530 Na\n0.749889 0.418069 0.019581 Cu\n0.781237 0.826379 0.627431 Cu\n0.720605 0.197430 0.197430 Cu\n0.749889 0.019580 0.418069 Cu\n0.781237 0.627431 0.826380 Cu\n0.007945 0.987345 0.574110 O\n0.526954 0.479426 0.874312 O\n0.529171 0.653330 0.653331 O\n0.980143 0.160123 0.356042 O\n0.980143 0.356042 0.160124 O\n0.007945 0.574109 0.987345 O\n0.526954 0.874311 0.479426 O\n0.031180 0.781557 0.781557 O\n0.487336 0.046751 0.258762 O\n0.487336 0.258762 0.046751 O\n",
"nsites": 23,
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"O"
],
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"density_atomic": 0.0751723683771126,
"volume": 305.9634876024833,
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"formula_full": "Na8 Cu5 O10",
"formula_reduced": "Na8(CuO2)5",
"formula_anonymous": "A5B8C10",
"energy_above_hull": 0.8521193260869567,
"spacegroup": 8
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{
"id": "jvasp-47979",
"created_at": "2022-09-04T14:36:21.666909Z",
"updated_at": "2022-09-04T14:36:21.666926Z",
"structure_string": "Fe4 O7 F1\n1.0\n-4.321043 0.050662 0.000000\n-0.050505 4.324713 -2.867777\n0.050505 -4.324713 -2.867777\nFe O F\n4 7 1\ndirect\n0.496398 0.997705 0.502297 Fe\n0.521323 0.511078 0.988924 Fe\n0.988713 0.500300 0.510908 Fe\n0.988714 0.989093 -0.000299 Fe\n0.803969 0.655417 0.844585 O\n0.803989 0.149132 0.350868 O\n0.697084 0.155044 0.849343 O\n0.697085 0.650658 0.344957 O\n0.305449 0.847138 0.150809 O\n0.305448 0.349192 0.652863 O\n0.192510 0.844878 0.655124 O\n0.199314 0.350370 0.149631 F\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.490974318971044,
"density_atomic": 0.11197458495979874,
"volume": 107.16717551851838,
"volume_molar": 5.37813179853453,
"formula_full": "Fe4 O7 F1",
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"formula_anonymous": "AB4C7",
"energy_above_hull": 2.9730038985416667,
"spacegroup": 8
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{
"id": "jvasp-107758",
"created_at": "2022-09-04T14:36:22.117347Z",
"updated_at": "2022-09-04T14:36:22.117373Z",
"structure_string": "Fe2 Ni1 Se4\n1.0\n5.508344 -0.008425 2.956955\n4.353806 3.374358 2.956955\n-0.050796 -0.017337 6.194411\nFe Ni Se\n2 1 4\ndirect\n0.999628 0.999630 0.998380 Fe\n0.261219 0.261219 0.714180 Fe\n0.736904 0.736906 0.288802 Ni\n0.882095 0.882098 0.454798 Se\n0.116586 0.116586 0.553699 Se\n0.633518 0.633520 0.023490 Se\n0.370045 0.370045 0.966643 Se\n",
"nsites": 7,
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"elements": [
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],
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"density": 6.964439216719608,
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"volume": 115.93079150676783,
"volume_molar": 9.973593498170976,
"formula_full": "Fe2 Ni1 Se4",
"formula_reduced": "Fe2NiSe4",
"formula_anonymous": "AB2C4",
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"spacegroup": 8
}
]
}