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{
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"results": [
{
"id": "jvasp-109709",
"created_at": "2022-09-04T14:38:00.061326Z",
"updated_at": "2022-09-04T14:38:00.061356Z",
"structure_string": "Mn2 Fe2 Si4\n1.0\n4.480588 0.000000 0.000000\n0.000000 4.489193 0.016871\n-0.000000 -0.000934 4.489472\nMn Fe Si\n2 2 4\ndirect\n0.635438 0.132862 0.387577 Mn\n0.135438 0.867138 0.612422 Mn\n0.364471 0.362888 0.884885 Fe\n0.864471 0.637112 0.115115 Fe\n0.657425 0.653013 0.593079 Si\n0.157425 0.346987 0.406920 Si\n0.342667 0.839137 0.091650 Si\n0.842667 0.160863 0.908349 Si\n",
"nsites": 8,
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{
"id": "jvasp-36735",
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"updated_at": "2022-09-04T14:38:00.297284Z",
"structure_string": "Rb2 Sr2 Si2 H2 O8\n1.0\n0.000000 5.813139 -0.039090\n7.840167 0.000000 0.000000\n0.000000 -2.868135 -5.106850\nRb Sr Si H O\n2 2 2 2 8\ndirect\n0.359128 0.231445 0.718891 Rb\n0.640871 0.731445 0.281109 Rb\n0.010241 0.486746 0.006376 Sr\n0.989759 0.986746 0.993624 Sr\n0.687779 0.245461 0.374870 Si\n0.312220 0.745461 0.625130 Si\n0.507023 0.004609 0.461548 H\n0.492977 0.504609 0.538452 H\n0.853380 0.237713 0.214855 O\n0.146619 0.737713 0.785145 O\n0.876210 0.240896 0.692914 O\n0.123790 0.740896 0.307087 O\n0.474601 0.403032 0.286840 O\n0.525399 0.903032 0.713160 O\n0.489675 0.067100 0.299940 O\n0.510324 0.567100 0.700060 O\n",
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"density_atomic": 0.06848473675741251,
"volume": 233.62869973020995,
"volume_molar": 8.793405720944364,
"formula_full": "Rb2 Sr2 Si2 H2 O8",
"formula_reduced": "RbSrSiHO4",
"formula_anonymous": "ABCDE4",
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"spacegroup": 4
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{
"id": "jvasp-45940",
"created_at": "2022-09-04T14:38:00.759059Z",
"updated_at": "2022-09-04T14:38:00.759084Z",
"structure_string": "Na2 V2 P2 C2 O14\n1.0\n0.000000 5.171873 -0.271637\n6.234166 0.000000 0.000000\n0.000000 0.062932 -8.865331\nNa V P C O\n2 2 2 2 14\ndirect\n0.820169 0.547414 0.214213 Na\n0.179830 0.047413 0.785787 Na\n0.233571 0.226668 0.329972 V\n0.766428 0.726669 0.670028 V\n0.297277 0.734860 0.439547 P\n0.702722 0.234859 0.560454 P\n0.365686 0.258866 0.067465 C\n0.634313 0.758867 0.932535 C\n0.476243 0.764049 0.819299 O\n0.759010 0.436546 0.660130 O\n0.774040 0.043424 0.658336 O\n0.125703 0.749215 0.585950 O\n0.414273 0.233244 0.527639 O\n0.585726 0.733244 0.472361 O\n0.523756 0.264048 0.180701 O\n0.225959 0.543424 0.341665 O\n0.240989 0.936546 0.339870 O\n0.880104 0.752932 0.874010 O\n0.119895 0.252931 0.125991 O\n0.569228 0.754938 0.067862 O\n0.874296 0.249215 0.414050 O\n0.430771 0.254938 0.932139 O\n",
"nsites": 22,
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"elements": [
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"density": 2.660648755140036,
"density_atomic": 0.07699516645380995,
"volume": 285.73222207653754,
"volume_molar": 7.821453004602221,
"formula_full": "Na2 V2 P2 C2 O14",
"formula_reduced": "NaVPCO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 3.06124029090909,
"spacegroup": 4
},
{
"id": "jvasp-45961",
"created_at": "2022-09-04T14:38:01.169381Z",
"updated_at": "2022-09-04T14:38:01.169399Z",
"structure_string": "Li2 Si2 P2 C2 O14\n1.0\n0.000000 4.949509 -0.048855\n6.007036 0.000000 0.000000\n0.000000 -0.609168 -8.426658\nLi Si P C O\n2 2 2 2 14\ndirect\n0.777067 0.469727 0.181778 Li\n0.222933 0.969727 0.818222 Li\n0.215204 0.252823 0.336607 Si\n0.784795 0.752823 0.663393 Si\n0.267912 0.757555 0.432121 P\n0.732088 0.257555 0.567878 P\n0.290241 0.248624 0.071358 C\n0.709759 0.748624 0.928642 C\n0.523558 0.764293 0.806866 O\n0.790662 0.460664 0.672182 O\n0.801334 0.053865 0.671587 O\n0.099481 0.761600 0.579594 O\n0.428062 0.253850 0.509498 O\n0.571938 0.753850 0.490502 O\n0.476442 0.264292 0.193133 O\n0.198666 0.553865 0.328413 O\n0.209338 0.960664 0.327818 O\n0.949977 0.754707 0.865638 O\n0.050023 0.254707 0.134361 O\n0.664981 0.724445 0.068852 O\n0.900519 0.261600 0.420406 O\n0.335019 0.224445 0.931147 O\n",
"nsites": 22,
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"elements": [
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"density_atomic": 0.08774758575186285,
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"volume_molar": 6.863027294026893,
"formula_full": "Li2 Si2 P2 C2 O14",
"formula_reduced": "LiSiPCO7",
"formula_anonymous": "ABCDE7",
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"spacegroup": 4
},
{
"id": "jvasp-45075",
"created_at": "2022-09-04T14:38:02.167326Z",
"updated_at": "2022-09-04T14:38:02.167341Z",
"structure_string": "Li6 Be2 P2 C2 O14\n1.0\n0.000000 4.703187 0.007407\n6.855676 0.000000 0.000000\n0.000000 -0.030831 -8.064378\nLi Be P C O\n6 2 2 2 14\ndirect\n0.057482 0.527023 0.038490 Li\n0.396319 0.238601 0.808006 Li\n0.441648 0.401721 0.443123 Li\n0.558353 0.901722 0.556877 Li\n0.603682 0.738601 0.191994 Li\n0.942519 0.027022 0.961509 Li\n0.046868 0.689302 0.712505 Be\n0.953133 0.189302 0.287495 Be\n0.049664 0.768670 0.360011 P\n0.950336 0.268670 0.639989 P\n0.543616 0.713980 0.870169 C\n0.456385 0.213979 0.129831 C\n0.937279 0.600898 0.253639 O\n0.931831 0.954602 0.270127 O\n0.609053 0.261817 0.257271 O\n0.374589 0.766007 0.376240 O\n0.922770 0.766497 0.538770 O\n0.077231 0.266497 0.461230 O\n0.430072 0.638413 0.998653 O\n0.390948 0.761817 0.742729 O\n0.068170 0.454602 0.729873 O\n0.062722 0.100898 0.746361 O\n0.820475 0.747076 0.870925 O\n0.179526 0.247075 0.129075 O\n0.625412 0.266007 0.623760 O\n0.569928 0.138413 0.001347 O\n",
"nsites": 26,
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"elements": [
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"density": 2.3605138908790892,
"density_atomic": 0.09999137841661208,
"volume": 260.0224180495994,
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"formula_full": "Li6 Be2 P2 C2 O14",
"formula_reduced": "Li3BePCO7",
"formula_anonymous": "ABCD3E7",
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"spacegroup": 4
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{
"id": "jvasp-45881",
"created_at": "2022-09-04T14:38:02.323674Z",
"updated_at": "2022-09-04T14:38:02.323691Z",
"structure_string": "Li2 V2 C4 O12\n1.0\n0.000000 6.057817 0.016579\n4.551297 0.000000 0.000000\n0.000000 -1.483342 -6.911755\nLi V C O\n2 2 4 12\ndirect\n0.175810 0.708283 0.566573 Li\n0.824191 0.208282 0.433426 Li\n0.729909 0.235646 0.907793 V\n0.270092 0.735646 0.092207 V\n0.226834 0.216273 0.875730 C\n0.732196 0.737550 0.631360 C\n0.267805 0.237550 0.368639 C\n0.773166 0.716273 0.124269 C\n0.590248 0.562255 0.110499 O\n0.365763 0.078273 0.259526 O\n0.284831 0.524887 0.352782 O\n0.159629 0.129860 0.487916 O\n0.840371 0.629860 0.512083 O\n0.208518 0.488137 0.835075 O\n0.634237 0.578273 0.740473 O\n0.409752 0.062254 0.889500 O\n0.791482 0.988138 0.164924 O\n0.061962 0.065839 0.922700 O\n0.715170 0.024887 0.647217 O\n0.938039 0.565839 0.077299 O\n",
"nsites": 20,
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"elements": [
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"volume": 190.4515471680989,
"volume_molar": 5.734630125030354,
"formula_full": "Li2 V2 C4 O12",
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{
"id": "jvasp-45229",
"created_at": "2022-09-04T14:38:02.866248Z",
"updated_at": "2022-09-04T14:38:02.866260Z",
"structure_string": "Li6 V2 P2 C2 O14\n1.0\n0.000000 5.150005 0.050260\n6.576259 0.000000 0.000000\n0.000000 -0.279291 -8.207687\nLi V P C O\n6 2 2 2 14\ndirect\n0.043956 0.512192 0.005389 Li\n0.418776 0.230941 0.835346 Li\n0.429834 0.366303 0.496441 Li\n0.570165 0.866303 0.503560 Li\n0.581223 0.730941 0.164654 Li\n0.956043 0.012192 0.994611 Li\n0.068003 0.748629 0.736330 V\n0.931996 0.248629 0.263671 V\n0.038698 0.750455 0.326872 P\n0.961302 0.250455 0.673128 P\n0.529295 0.740006 0.852186 C\n0.470705 0.240006 0.147815 C\n0.918753 0.565830 0.228697 O\n0.931755 0.934049 0.223996 O\n0.533394 0.240999 0.301513 O\n0.338143 0.739029 0.339770 O\n0.918314 0.763267 0.495738 O\n0.081685 0.263267 0.504262 O\n0.342609 0.729039 0.955559 O\n0.466606 0.740999 0.698487 O\n0.068245 0.434049 0.776004 O\n0.081246 0.065830 0.771303 O\n0.767631 0.753864 0.906000 O\n0.232368 0.253864 0.094001 O\n0.661857 0.239029 0.660231 O\n0.657390 0.229039 0.044441 O\n",
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"formula_full": "Li6 V2 P2 C2 O14",
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{
"id": "jvasp-45784",
"created_at": "2022-09-04T14:38:02.879688Z",
"updated_at": "2022-09-04T14:38:02.879711Z",
"structure_string": "Li6 V2 F12\n1.0\n0.000000 5.126938 0.532081\n8.861102 0.000000 0.000000\n0.000000 -2.392254 -5.181141\nLi V F\n6 2 12\ndirect\n0.485748 0.168384 0.921367 Li\n0.951570 0.338165 0.827130 Li\n0.824651 0.668374 0.597531 Li\n0.175351 0.168375 0.402469 Li\n0.514253 0.668384 0.078633 Li\n0.048431 0.838165 0.172870 Li\n0.760259 0.996851 0.533032 V\n0.239743 0.496851 0.466968 V\n0.779508 0.827798 0.308571 F\n0.204164 0.339594 0.211382 F\n0.321060 -0.004336 0.311356 F\n0.289955 0.662878 0.259770 F\n0.220493 0.327798 0.691429 F\n0.678941 0.495664 0.688644 F\n0.236135 0.640484 0.725744 F\n0.710047 0.162878 0.740230 F\n0.810423 0.523951 0.270555 F\n0.795838 0.839594 0.788618 F\n0.189579 0.023951 0.729445 F\n0.763866 0.140484 0.274256 F\n",
"nsites": 20,
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"volume": 224.10183992094508,
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"formula_full": "Li6 V2 F12",
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{
"id": "jvasp-46796",
"created_at": "2022-09-04T14:38:04.293644Z",
"updated_at": "2022-09-04T14:38:04.293663Z",
"structure_string": "Li6 Cr2 P2 C2 O14\n1.0\n0.000000 4.944552 0.122823\n6.435871 0.000000 0.000000\n0.000000 -0.960971 -8.526783\nLi Cr P C O\n6 2 2 2 14\ndirect\n0.831180 0.109224 0.929087 Li\n0.262675 0.530968 0.689400 Li\n0.776683 0.767990 0.619872 Li\n0.223317 0.267990 0.380128 Li\n0.737325 0.030968 0.310600 Li\n0.168820 0.609224 0.070913 Li\n0.262393 0.987221 0.738602 Cr\n0.737607 0.487221 0.261398 Cr\n0.245092 0.796662 0.389286 P\n0.754908 0.296662 0.610714 P\n0.664656 0.724817 0.947893 C\n0.335344 0.224817 0.052107 C\n0.493553 0.242839 0.186725 O\n0.133383 0.594128 0.300356 O\n0.118721 0.987018 0.303112 O\n0.838291 0.287310 0.440972 O\n0.562057 0.794283 0.403859 O\n0.437943 0.294283 0.596141 O\n0.903786 0.802806 0.968473 O\n0.881279 0.487018 0.696888 O\n0.866617 0.094128 0.699644 O\n0.506447 0.742839 0.813275 O\n0.433872 0.124733 0.940430 O\n0.566128 0.624733 0.059570 O\n0.161709 0.787310 0.559028 O\n0.096214 0.302806 0.031527 O\n",
"nsites": 26,
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"elements": [
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],
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"density_atomic": 0.09608848878823696,
"volume": 270.5839203830094,
"volume_molar": 6.267286368996598,
"formula_full": "Li6 Cr2 P2 C2 O14",
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},
{
"id": "jvasp-30734",
"created_at": "2022-09-04T14:38:04.562981Z",
"updated_at": "2022-09-04T14:38:04.563009Z",
"structure_string": "Mg4 Sb8 O16\n1.0\n7.008117 0.011402 -0.302298\n-0.009738 6.332302 0.014683\n-0.424619 -0.023710 10.004454\nMg Sb O\n4 8 16\ndirect\n0.817843 0.211600 0.728307 Mg\n0.182154 0.711619 0.271698 Mg\n0.448233 0.212551 0.220829 Mg\n0.551771 0.712537 0.779168 Mg\n0.901647 0.385447 0.064253 Sb\n0.886706 0.146157 0.419259 Sb\n0.113340 0.646170 0.580758 Sb\n0.098323 0.885451 0.935748 Sb\n0.443998 0.251220 0.542068 Sb\n0.527216 0.724996 0.085750 Sb\n0.556008 0.751224 0.457915 Sb\n0.472765 0.224995 0.914235 Sb\n0.607609 0.433377 0.674167 O\n0.305668 0.051019 0.049974 O\n0.275843 0.505341 0.443134 O\n0.366490 0.514584 0.172308 O\n0.392397 0.933385 0.325819 O\n0.633492 0.014577 0.827691 O\n0.652102 0.204615 0.086681 O\n0.017828 0.754299 0.098908 O\n0.347873 0.704608 0.913308 O\n0.386360 0.802637 0.611355 O\n0.982152 0.254288 0.901099 O\n-0.007020 0.302106 0.582402 O\n0.724146 0.005330 0.556858 O\n0.007079 0.802193 0.417637 O\n0.613650 0.302635 0.388642 O\n0.694319 0.551033 0.950016 O\n",
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"volume": 443.1633764759067,
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"formula_full": "Mg4 Sb8 O16",
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"formula_anonymous": "AB2C4",
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{
"id": "jvasp-45963",
"created_at": "2022-09-04T14:38:04.932949Z",
"updated_at": "2022-09-04T14:38:04.932972Z",
"structure_string": "Li2 Ge2 P2 C2 O14\n1.0\n0.000000 5.030571 -0.055922\n6.214715 0.000000 0.000000\n0.000000 -0.583514 -8.499137\nLi Ge P C O\n2 2 2 2 14\ndirect\n0.776090 0.466363 0.179960 Li\n0.223911 0.966363 0.820040 Li\n0.213885 0.252500 0.337633 Ge\n0.786116 0.752500 0.662367 Ge\n0.271439 0.757555 0.428555 P\n0.728562 0.257555 0.571445 P\n0.286101 0.249928 0.062911 C\n0.713900 0.749927 0.937089 C\n0.524024 0.767223 0.819815 O\n0.796710 0.452496 0.675538 O\n0.811544 0.061120 0.671620 O\n0.127776 0.764766 0.584451 O\n0.423367 0.250687 0.525788 O\n0.576633 0.750686 0.474213 O\n0.475976 0.267223 0.180185 O\n0.188456 0.561120 0.328381 O\n0.203290 0.952496 0.324462 O\n0.952014 0.757770 0.876111 O\n0.047987 0.257770 0.123889 O\n0.670925 0.721739 0.076154 O\n0.872224 0.264766 0.415550 O\n0.329076 0.221740 0.923847 O\n",
"nsites": 22,
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"elements": [
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],
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"formula_full": "Li2 Ge2 P2 C2 O14",
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"formula_anonymous": "ABCDE7",
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"spacegroup": 4
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{
"id": "jvasp-36727",
"created_at": "2022-09-04T14:38:05.201616Z",
"updated_at": "2022-09-04T14:38:05.201643Z",
"structure_string": "Rb2 Ba2 Si2 H2 O8\n1.0\n0.000000 5.940888 -0.024179\n8.175521 0.000000 0.000000\n0.000000 -2.849092 -5.297386\nRb Ba Si H O\n2 2 2 2 8\ndirect\n0.365541 0.229258 0.711683 Rb\n0.634461 0.729258 0.288318 Rb\n0.013470 0.484411 0.004912 Ba\n0.986531 0.984411 0.995089 Ba\n0.694809 0.245929 0.377653 Si\n0.305192 0.745928 0.622348 Si\n0.513292 0.009448 0.454748 H\n0.486709 0.509447 0.545253 H\n0.844463 0.241203 0.208919 O\n0.155538 0.741203 0.791082 O\n0.885914 0.236256 0.681703 O\n0.114088 0.736255 0.318298 O\n0.493011 0.399365 0.309684 O\n0.506990 0.899365 0.690317 O\n0.507795 0.071132 0.305247 O\n0.492206 0.571132 0.694754 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Rb",
"Ba",
"Si",
"H",
"O"
],
"chemical_system": "Ba-H-O-Rb-Si",
"density": 4.068471027484291,
"density_atomic": 0.06205002468982901,
"volume": 257.85646468280385,
"volume_molar": 9.705299538723835,
"formula_full": "Rb2 Ba2 Si2 H2 O8",
"formula_reduced": "RbBaSiHO4",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.7496623212499998,
"spacegroup": 4
}
]
}