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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=174",
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"results": [
{
"id": "jvasp-116521",
"created_at": "2022-09-04T14:38:49.725392Z",
"updated_at": "2022-09-04T14:38:49.725419Z",
"structure_string": "Cu6 O2 F10\n1.0\n5.213719 0.033469 1.396092\n1.271643 5.377433 1.184651\n0.021372 0.085139 7.121763\nCu O F\n6 2 10\ndirect\n0.311596 0.304964 0.161547 Cu\n0.000000 0.000000 0.000000 Cu\n0.339664 0.345843 0.672518 Cu\n-0.000000 0.000000 0.500000 Cu\n0.660335 0.654157 0.327481 Cu\n0.688403 0.695036 0.838452 Cu\n0.090531 0.085821 0.211294 O\n0.909468 0.914179 0.788706 O\n0.982831 0.401844 0.833868 F\n0.692677 0.289579 0.509910 F\n0.229096 0.227054 0.489346 F\n0.628965 0.030968 0.145367 F\n0.461482 0.470147 0.848582 F\n0.017168 0.598156 0.166131 F\n0.538518 0.529853 0.151417 F\n0.307322 0.710421 0.490090 F\n0.371035 0.969032 0.854632 F\n0.770903 0.772946 0.510654 F\n",
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"volume": 198.8313583297338,
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{
"id": "jvasp-117414",
"created_at": "2022-09-04T14:38:49.834036Z",
"updated_at": "2022-09-04T14:38:49.834066Z",
"structure_string": "Li2 Mn4 F18\n1.0\n4.723885 0.179720 -0.519484\n-1.261188 7.665857 -2.706513\n1.130878 0.213463 7.415320\nLi Mn F\n2 4 18\ndirect\n0.102659 0.178183 0.393792 Li\n-0.102659 0.821817 0.606209 Li\n0.586675 0.221409 0.771250 Mn\n0.331304 0.658265 0.813700 Mn\n0.668695 0.341734 0.186301 Mn\n0.413324 0.778591 0.228751 Mn\n0.796754 0.233346 0.575430 F\n0.524862 0.552846 0.185765 F\n0.712757 0.870192 0.367070 F\n-0.131779 0.335718 -0.045209 F\n0.059022 0.537013 0.673549 F\n0.609455 0.776552 0.000562 F\n0.817618 0.148978 0.178429 F\n0.182380 0.851022 0.821572 F\n0.131778 0.664283 0.045209 F\n0.940977 0.462987 0.326452 F\n0.713737 0.021811 0.759674 F\n0.287241 0.129808 0.632930 F\n0.475137 0.447154 0.814236 F\n0.203245 0.766654 0.424570 F\n0.286262 -0.021811 0.240327 F\n0.573704 0.667086 0.630444 F\n0.390543 0.223449 -0.000561 F\n0.426295 0.332914 0.369557 F\n",
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"density_atomic": 0.08663277257987373,
"volume": 277.0314199268235,
"volume_molar": 6.951342523925001,
"formula_full": "Li2 Mn4 F18",
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{
"id": "jvasp-119487",
"created_at": "2022-09-04T14:38:49.884998Z",
"updated_at": "2022-09-04T14:38:49.885023Z",
"structure_string": "Sb8 Cl2 O11\n1.0\n4.176857 0.046495 0.230259\n1.610475 8.657238 1.272040\n0.008385 0.094337 11.227260\nSb Cl O\n8 2 11\ndirect\n0.670999 0.519502 0.858238 Sb\n0.329004 0.480498 0.141762 Sb\n0.300082 0.042391 0.683700 Sb\n0.699921 0.957609 0.316300 Sb\n0.870050 0.850326 0.939593 Sb\n0.129953 0.149674 0.060407 Sb\n0.233858 0.449077 0.640816 Sb\n0.766145 0.550923 0.359184 Sb\n0.907704 0.193256 0.511258 Cl\n0.092299 0.806744 0.488742 Cl\n0.500000 -0.000000 0.000000 O\n0.434596 0.248852 0.142987 O\n0.565407 0.751148 0.857013 O\n0.085841 0.003291 0.211560 O\n0.714627 0.490484 0.684622 O\n0.822268 0.455247 0.199941 O\n0.177735 0.544753 0.800059 O\n0.285376 0.509516 0.315378 O\n0.286868 0.240856 0.744728 O\n0.914161 -0.003291 0.788440 O\n0.713135 0.759144 0.255272 O\n",
"nsites": 21,
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"elements": [
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"density": 5.0104004309874695,
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"formula_full": "Sb8 Cl2 O11",
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"formula_anonymous": "A2B8C11",
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"spacegroup": 2
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{
"id": "jvasp-117426",
"created_at": "2022-09-04T14:38:49.892250Z",
"updated_at": "2022-09-04T14:38:49.892272Z",
"structure_string": "Na8 V2 O8\n1.0\n5.399870 -0.007795 1.908919\n1.894120 5.327422 0.956308\n0.002800 -0.044590 8.662008\nNa V O\n8 2 8\ndirect\n0.476734 0.734429 0.567337 Na\n0.947934 0.238624 0.604118 Na\n0.523266 0.265572 0.432663 Na\n0.052066 0.761377 0.395883 Na\n0.611243 0.732424 0.181818 Na\n0.758444 0.244473 0.012356 Na\n0.241556 0.755528 0.987645 Na\n0.388756 0.267576 0.818182 Na\n0.842924 0.719525 0.756317 V\n0.157076 0.280475 0.243684 V\n0.700865 0.974055 0.624352 O\n0.163025 0.523181 0.637899 O\n0.836975 0.476820 0.362102 O\n0.299135 0.025945 0.375649 O\n0.365102 0.473619 0.197551 O\n0.144686 0.152010 0.072796 O\n0.634897 0.526382 0.802450 O\n0.855314 0.847990 0.927205 O\n",
"nsites": 18,
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"density_atomic": 0.07218717830314443,
"volume": 249.35176056349513,
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"formula_full": "Na8 V2 O8",
"formula_reduced": "Na4VO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 2
},
{
"id": "jvasp-117250",
"created_at": "2022-09-04T14:38:49.910304Z",
"updated_at": "2022-09-04T14:38:49.910320Z",
"structure_string": "Sr6 Co2 Ru2 O12\n1.0\n6.785507 -0.000378 -0.252883\n-0.205939 6.648975 -0.338540\n-0.024311 0.004792 6.616460\nSr Co Ru O\n6 2 2 12\ndirect\n0.610148 0.882649 0.250998 Sr\n0.888137 0.247631 0.613347 Sr\n0.246787 0.616800 0.881661 Sr\n0.111857 0.752364 0.386652 Sr\n0.753212 0.383200 0.118338 Sr\n0.389853 0.117348 0.749004 Sr\n0.733172 0.734415 0.759765 Co\n0.266835 0.265583 0.240235 Co\n0.499995 0.500002 0.500002 Ru\n0.000001 0.000000 -0.000000 Ru\n0.939712 0.078474 0.282107 O\n0.592167 0.463643 0.792596 O\n0.785951 0.599250 0.472303 O\n0.453261 0.785245 0.590511 O\n0.715957 0.028074 0.898759 O\n0.546740 0.214761 0.409486 O\n0.060290 0.921521 0.717893 O\n0.407828 0.536366 0.207408 O\n0.214048 0.400746 0.527698 O\n0.094018 0.288334 0.969952 O\n0.905989 0.711664 0.030057 O\n0.284046 0.971928 0.101232 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 5.773113545228215,
"density_atomic": 0.07370616832348575,
"volume": 298.48248118726195,
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"formula_full": "Sr6 Co2 Ru2 O12",
"formula_reduced": "Sr3CoRuO6",
"formula_anonymous": "ABC3D6",
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"spacegroup": 2
},
{
"id": "jvasp-116856",
"created_at": "2022-09-04T14:38:49.921689Z",
"updated_at": "2022-09-04T14:38:49.921710Z",
"structure_string": "Li6 Mn3 V3 O12\n1.0\n4.872500 -0.001871 -1.530276\n-0.105468 5.841632 -0.871363\n0.015254 -0.007326 7.542456\nLi Mn V O\n6 3 3 12\ndirect\n0.002639 0.589065 0.839098 Li\n0.004588 0.758476 0.509370 Li\n-0.005175 0.084461 0.827326 Li\n0.997360 0.410934 0.160902 Li\n0.005174 0.915538 0.172675 Li\n0.995411 0.241523 0.490630 Li\n0.489647 0.321647 0.837686 Mn\n0.510352 0.678352 0.162314 Mn\n0.499999 0.500000 0.500000 Mn\n0.489047 0.157477 0.157005 V\n0.500000 -0.000000 0.500000 V\n0.510952 0.842522 0.842995 V\n0.285779 0.551897 0.680719 O\n0.738062 0.120538 0.995327 O\n0.749305 0.635572 0.008201 O\n0.741644 0.967705 0.341624 O\n0.714220 0.448102 0.319281 O\n0.743728 0.803064 0.671676 O\n0.712700 0.282468 0.657254 O\n0.250694 0.364427 0.991799 O\n0.261936 0.879461 0.004673 O\n0.287298 0.717531 0.342746 O\n0.256270 0.196935 0.328325 O\n0.258355 0.032294 0.658376 O\n",
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"elements": [
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],
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"formula_full": "Li6 Mn3 V3 O12",
"formula_reduced": "Li2MnVO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 2
},
{
"id": "jvasp-121292",
"created_at": "2022-09-04T14:38:50.109164Z",
"updated_at": "2022-09-04T14:38:50.109188Z",
"structure_string": "Au1 Br2\n1.0\n6.399399 -0.148431 0.636865\n2.069275 -5.953274 0.982484\n-0.559769 2.954428 -2.758204\nAu Br\n1 2\ndirect\n0.965326 0.064222 0.147837 Au\n0.235092 0.485606 0.817440 Br\n0.695578 0.642776 0.478122 Br\n",
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"elements": [
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"density_atomic": 0.03428157479663054,
"volume": 87.5105655967375,
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"formula_full": "Au1 Br2",
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"formula_anonymous": "AB2",
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"spacegroup": 2
},
{
"id": "jvasp-121327",
"created_at": "2022-09-04T14:38:50.169918Z",
"updated_at": "2022-09-04T14:38:50.169937Z",
"structure_string": "Tb6 Os1 I10\n1.0\n7.600475 -0.019542 -0.951160\n-2.890193 8.669919 -2.918027\n-0.021895 -0.023599 9.652383\nTb Os I\n6 1 10\ndirect\n0.359479 0.131387 0.170786 Tb\n0.640522 0.868613 0.829214 Tb\n0.973950 0.286400 0.086221 Tb\n0.026050 0.713600 0.913778 Tb\n0.887047 0.962019 0.245638 Tb\n0.112953 0.037981 0.754362 Tb\n0.000000 0.000000 0.000000 Os\n0.272493 0.090339 0.466122 I\n0.727507 0.909661 0.533878 I\n0.450776 0.811981 0.092991 I\n0.549224 0.188019 0.907009 I\n0.633621 0.535063 0.722511 I\n0.797309 0.270843 0.359925 I\n0.910754 0.628940 0.184233 I\n0.366379 0.464937 0.277489 I\n0.202692 0.729157 0.640075 I\n0.089246 0.371061 0.815767 I\n",
"nsites": 17,
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"elements": [
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"density_atomic": 0.026782898414990958,
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{
"id": "jvasp-117096",
"created_at": "2022-09-04T14:38:50.404173Z",
"updated_at": "2022-09-04T14:38:50.404209Z",
"structure_string": "Li5 Co2 Cu2 P4 O16\n1.0\n4.750243 0.038932 0.237008\n0.130634 6.098937 0.254181\n-0.039186 0.035005 10.209116\nLi Co Cu P O\n5 2 2 4 16\ndirect\n0.001687 0.500839 0.001051 Li\n0.100648 0.971589 0.128473 Li\n0.501359 0.000973 0.500765 Li\n0.501386 0.500912 0.501098 Li\n0.902545 0.030228 0.873716 Li\n0.539059 0.727737 0.218542 Co\n0.464038 0.274045 0.783542 Co\n0.058866 0.273440 0.296213 Cu\n0.943947 0.728415 0.705929 Cu\n0.411857 0.757986 0.906808 P\n0.919854 0.247578 0.600175 P\n0.591287 0.243831 0.095288 P\n0.083096 0.754252 0.401933 P\n0.196230 0.774689 0.540855 O\n0.294055 0.981531 0.849205 O\n0.281976 0.567548 0.833080 O\n0.759563 0.452826 0.658982 O\n0.795510 0.056483 0.690416 O\n0.242032 0.259260 0.600562 O\n0.806603 0.227028 0.461279 O\n0.266727 0.254760 0.103456 O\n0.207651 0.945449 0.311815 O\n0.243380 0.549059 0.343066 O\n0.721181 0.434248 0.169044 O\n0.709100 0.020281 0.152894 O\n0.736421 0.747060 0.898642 O\n0.292778 0.731905 0.051869 O\n0.760919 0.742618 0.401464 O\n0.710387 0.269950 0.950238 O\n",
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"elements": [
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"density_atomic": 0.09806047552524069,
"volume": 295.73586957097126,
"volume_molar": 6.141251842542723,
"formula_full": "Li5 Co2 Cu2 P4 O16",
"formula_reduced": "Li5Co2Cu2(PO4)4",
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"spacegroup": 2
},
{
"id": "jvasp-116767",
"created_at": "2022-09-04T14:38:50.398427Z",
"updated_at": "2022-09-04T14:38:50.398456Z",
"structure_string": "Li6 Nb2 V4 O12\n1.0\n5.613820 -0.086445 -1.197528\n-0.518882 5.897410 -1.668871\n0.113282 -0.194800 6.598385\nLi Nb V O\n6 2 4 12\ndirect\n0.831218 0.840632 0.321835 Li\n0.335451 0.826033 0.344834 Li\n0.003066 0.490587 0.001007 Li\n0.494494 0.520657 0.985958 Li\n0.163601 0.176080 0.665660 Li\n0.672170 0.146012 0.680703 Li\n0.815010 0.341273 0.343428 Nb\n0.351657 0.325392 0.323236 Nb\n0.473546 0.006005 0.008611 V\n0.142955 0.688569 0.688738 V\n0.023707 0.978096 0.977927 V\n0.693124 0.660661 0.658053 V\n0.073873 0.087893 0.318170 O\n0.758914 0.216784 0.004870 O\n0.243450 0.249128 -0.016350 O\n0.923216 0.417537 0.683016 O\n0.407751 0.449883 0.661796 O\n0.915588 0.922371 0.661200 O\n0.423400 0.893683 0.684624 O\n0.251076 0.744293 0.005465 O\n0.743270 0.772980 0.982040 O\n0.092796 0.578775 0.348497 O\n0.583728 0.604547 0.327150 O\n0.582938 0.062122 0.339519 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.76842446313811,
"density_atomic": 0.11058529222585634,
"volume": 217.02705230441555,
"volume_molar": 5.4456977404378035,
"formula_full": "Li6 Nb2 V4 O12",
"formula_reduced": "Li3NbV2O6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.9220040666666667,
"spacegroup": 2
},
{
"id": "jvasp-119700",
"created_at": "2022-09-04T14:38:50.428152Z",
"updated_at": "2022-09-04T14:38:50.428179Z",
"structure_string": "Fe8 O2 F12\n1.0\n5.041877 -0.239256 0.044735\n-0.376314 7.407893 -0.137706\n0.089474 0.028752 6.643372\nFe O F\n8 2 12\ndirect\n0.393978 0.503816 0.747394 Fe\n0.936657 0.718699 0.478449 Fe\n0.961251 0.716348 0.049495 Fe\n0.464304 0.002677 0.745865 Fe\n0.535658 -0.002707 0.254116 Fe\n0.063366 0.281269 0.521524 Fe\n0.038739 0.283630 0.950493 Fe\n0.606054 0.496175 0.252633 Fe\n0.291067 0.226762 0.746009 O\n0.708921 0.773224 0.253986 O\n0.262721 0.544499 0.447869 F\n0.269316 0.538195 0.056720 F\n0.730649 0.461802 0.943287 F\n0.737375 0.455489 0.552154 F\n0.758164 0.074293 0.525532 F\n0.897080 0.306483 0.239419 F\n0.616119 0.762955 0.718015 F\n0.102995 0.693550 0.760572 F\n0.383941 0.237049 0.281998 F\n0.253149 0.935482 0.034409 F\n0.746716 0.064580 0.965608 F\n0.241784 0.925717 0.474438 F\n",
"nsites": 22,
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"elements": [
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],
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"density": 4.741261195677924,
"density_atomic": 0.08888081221052413,
"volume": 247.52249054487197,
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"formula_full": "Fe8 O2 F12",
"formula_reduced": "Fe4OF6",
"formula_anonymous": "AB4C6",
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"spacegroup": 2
},
{
"id": "jvasp-119715",
"created_at": "2022-09-04T14:38:50.456675Z",
"updated_at": "2022-09-04T14:38:50.456702Z",
"structure_string": "Sc1 Cr2 Ag1 H4 O10\n1.0\n5.614628 -0.051791 -0.078871\n-2.796785 4.901179 -2.144666\n0.096829 0.024956 7.341067\nSc Cr Ag H O\n1 2 1 4 10\ndirect\n0.000000 0.000000 0.000000 Sc\n0.636381 0.237335 0.317205 Cr\n0.363619 0.762666 0.682795 Cr\n0.000000 0.000000 0.500000 Ag\n0.241899 0.494560 0.957925 H\n0.701202 0.432552 0.800211 H\n0.758102 0.505441 0.042075 H\n0.298799 0.567449 0.199789 H\n0.170485 0.919801 0.744614 O\n0.777407 0.577579 0.937812 O\n0.222594 0.422422 0.062188 O\n0.607999 0.298785 0.547904 O\n0.829515 0.080200 0.255387 O\n0.680227 0.967474 0.828466 O\n0.319774 0.032527 0.171534 O\n0.209876 0.473491 0.712455 O\n0.790124 0.526510 0.287545 O\n0.392001 0.701217 0.452096 O\n",
"nsites": 18,
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"elements": [
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"H",
"O"
],
"chemical_system": "Ag-Cr-H-O-Sc",
"density": 3.471480462854629,
"density_atomic": 0.08941677104998472,
"volume": 201.3045180298207,
"volume_molar": 6.7349119066641014,
"formula_full": "Sc1 Cr2 Ag1 H4 O10",
"formula_reduced": "ScCr2Ag(H2O5)2",
"formula_anonymous": "ABC2D4E10",
"energy_above_hull": 3.1374184616666665,
"spacegroup": 2
}
]
}