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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=310",
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"results": [
{
"id": "jvasp-119148",
"created_at": "2022-09-04T14:38:50.090317Z",
"updated_at": "2022-09-04T14:38:50.090336Z",
"structure_string": "Sm4 Ti4 S4 O9\n1.0\n6.776292 -0.004445 6.268555\n5.772012 3.549934 6.268555\n0.023811 0.006728 12.773087\nSm Ti S O\n4 4 4 9\ndirect\n0.867376 0.867373 0.821586 Sm\n0.141569 0.141569 0.160030 Sm\n0.154904 0.154904 0.690369 Sm\n0.844512 0.844509 0.311733 Sm\n0.879204 0.879201 0.544590 Ti\n0.117802 0.117802 0.462954 Ti\n0.433549 0.433548 0.968730 Ti\n0.565425 0.565422 0.030734 Ti\n0.545277 0.545276 0.656296 S\n0.461245 0.461244 0.350906 S\n0.291857 0.291857 0.734657 S\n0.693511 0.693508 0.279157 S\n0.037534 0.037534 0.098841 O\n0.767328 0.767325 0.560239 O\n0.233788 0.233788 0.439126 O\n0.588511 0.588510 0.864754 O\n0.409089 0.409088 0.137638 O\n0.322476 0.322476 0.974551 O\n0.680240 0.680237 0.016525 O\n0.959721 0.959718 0.906369 O\n0.983590 0.983587 0.542815 O\n",
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{
"id": "jvasp-117283",
"created_at": "2022-09-04T14:38:50.111587Z",
"updated_at": "2022-09-04T14:38:50.111624Z",
"structure_string": "Li2 V3 Fe1 O8\n1.0\n5.923511 -0.017912 1.696167\n4.627728 3.697627 1.696167\n-0.000402 -0.000140 6.262673\nLi V Fe O\n2 3 1 8\ndirect\n0.941727 0.941729 0.321508 Li\n0.058082 0.058082 0.653796 Li\n0.718130 0.718132 0.704631 V\n0.609811 0.609813 0.294559 V\n0.385019 0.385020 0.724308 V\n0.285956 0.285956 0.303887 Fe\n0.889057 0.889059 0.676025 O\n0.767889 0.767891 0.353674 O\n0.655737 0.655739 0.994104 O\n0.559699 0.559700 0.646817 O\n0.442471 0.442472 0.354318 O\n0.344350 0.344351 0.006148 O\n0.226720 0.226720 0.653359 O\n0.115350 0.115351 0.312868 O\n",
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"elements": [
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{
"id": "jvasp-111974",
"created_at": "2022-09-04T14:38:50.219880Z",
"updated_at": "2022-09-04T14:38:50.219911Z",
"structure_string": "Li5 V1 O4 F1\n1.0\n4.890183 0.050066 1.468406\n3.300735 3.608539 1.468406\n0.040758 0.018205 5.766299\nLi V O F\n5 1 4 1\ndirect\n0.670039 0.670040 0.109402 Li\n0.698621 0.698624 0.655581 Li\n0.287408 0.287410 0.304930 Li\n0.316581 0.316583 0.854793 Li\n0.987679 0.987682 0.478691 Li\n0.975157 0.975159 0.017678 V\n0.134990 0.134990 0.150718 O\n0.487957 0.487960 0.990751 O\n0.826620 0.826623 0.310987 O\n0.853649 0.853653 0.804950 O\n0.159932 0.159933 0.648031 F\n",
"nsites": 11,
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"elements": [
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"density": 2.7851636945889884,
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"volume": 100.54614218793382,
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"formula_full": "Li5 V1 O4 F1",
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"formula_anonymous": "ABC4D5",
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{
"id": "jvasp-111641",
"created_at": "2022-09-04T14:38:50.294479Z",
"updated_at": "2022-09-04T14:38:50.294504Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n5.037060 0.001371 3.849185\n4.229562 2.735467 3.849185\n-0.001303 -0.000384 9.680538\nLi Mn Co O\n5 2 1 8\ndirect\n0.116890 0.116892 0.620554 Li\n0.378534 0.378537 0.851677 Li\n0.624742 0.624743 0.133168 Li\n0.879824 0.879826 0.393256 Li\n0.493647 0.493648 0.512009 Li\n0.003458 0.003461 0.996152 Mn\n0.241796 0.241797 0.258094 Mn\n0.753502 0.753505 0.743921 Co\n0.185239 0.185241 0.922403 O\n0.443337 0.443338 0.166743 O\n0.700780 0.700781 0.413876 O\n0.926651 0.926654 0.691126 O\n0.078357 0.078358 0.302863 O\n0.300323 0.300325 0.586133 O\n0.558128 0.558130 0.829459 O\n0.814778 0.814780 0.078558 O\n",
"nsites": 16,
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"density_atomic": 0.11999030095279534,
"volume": 133.3441109235526,
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{
"id": "jvasp-119315",
"created_at": "2022-09-04T14:38:50.533727Z",
"updated_at": "2022-09-04T14:38:50.533763Z",
"structure_string": "V6 H4 O13\n1.0\n6.255685 -0.002457 -1.145456\n-5.084071 3.644972 1.145456\n0.015225 -0.004897 10.357160\nV H O\n6 4 13\ndirect\n0.644463 0.355536 -0.002130 V\n0.352527 0.647472 0.012369 V\n0.591530 0.408469 0.615465 V\n0.410771 0.589228 0.364832 V\n0.291820 0.708179 0.637014 V\n0.715188 0.284811 0.386493 V\n0.819649 0.180350 0.876849 H\n0.922460 0.077539 0.496268 H\n0.507432 0.492567 0.804666 H\n0.581144 0.418855 0.195122 H\n0.662852 0.337147 0.199828 O\n0.333721 0.666278 0.802739 O\n0.382357 0.617642 0.194343 O\n0.588655 0.411343 0.804413 O\n0.500887 0.499112 0.008123 O\n0.185958 0.814041 0.001190 O\n0.760227 0.239772 0.595986 O\n0.894115 0.105884 0.400126 O\n0.127058 0.872941 0.616437 O\n0.433559 0.566439 0.579223 O\n0.818790 0.181209 0.971882 O\n0.251250 0.748748 0.403695 O\n0.567674 0.432325 0.415312 O\n",
"nsites": 23,
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"elements": [
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"H",
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"density_atomic": 0.0974152865289589,
"volume": 236.1025750631317,
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"formula_full": "V6 H4 O13",
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"formula_anonymous": "A4B6C13",
"energy_above_hull": 3.662022639130435,
"spacegroup": 8
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{
"id": "jvasp-116089",
"created_at": "2022-09-04T14:38:50.748743Z",
"updated_at": "2022-09-04T14:38:50.748766Z",
"structure_string": "Zr1 Tl1 F3\n1.0\n4.404904 0.156932 -0.095726\n0.435267 4.383958 -0.114179\n0.673466 0.655654 4.291025\nZr Tl F\n1 1 3\ndirect\n0.513798 0.514159 0.456275 Zr\n0.993483 0.990170 0.006680 Tl\n0.010535 0.503826 0.506573 F\n0.473773 0.471493 0.962658 F\n0.508410 0.010351 0.507809 F\n",
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{
"id": "jvasp-123635",
"created_at": "2022-09-04T14:38:54.941958Z",
"updated_at": "2022-09-04T14:38:54.941983Z",
"structure_string": "Yb1 P3\n1.0\n3.207774 -0.000000 -1.027169\n-0.078348 4.400446 -0.244675\n0.047003 -0.326391 5.669192\nYb P\n1 3\ndirect\n0.341485 -0.015128 0.682974 Yb\n0.618688 0.082667 0.237377 P\n0.119101 0.425893 0.238203 P\n0.920720 0.506569 0.841446 P\n",
"nsites": 4,
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"elements": [
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"volume": 79.95426706489164,
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},
{
"id": "jvasp-123586",
"created_at": "2022-09-04T14:38:54.954629Z",
"updated_at": "2022-09-04T14:38:54.954657Z",
"structure_string": "La1 P3\n1.0\n3.623750 -0.000000 -1.160370\n-0.046101 4.220953 -0.143970\n-0.138417 -0.207951 5.806266\nLa P\n1 3\ndirect\n0.339772 -0.009439 0.679546 La\n0.620878 0.077350 0.241756 P\n0.117696 0.427527 0.235391 P\n0.921653 0.504562 0.843308 P\n",
"nsites": 4,
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{
"id": "jvasp-116440",
"created_at": "2022-09-04T14:38:50.976698Z",
"updated_at": "2022-09-04T14:38:50.976724Z",
"structure_string": "As2 N2\n1.0\n6.789254 1.714397 1.981511\n1.004433 -3.363330 1.031953\n1.492831 1.556346 -3.064136\nAs N\n2 2\ndirect\n0.742375 0.444996 0.289763 As\n0.541499 0.244931 0.786183 As\n0.185520 0.380075 0.535922 N\n0.106832 0.120894 0.441540 N\n",
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{
"id": "jvasp-119015",
"created_at": "2022-09-04T14:38:51.058230Z",
"updated_at": "2022-09-04T14:38:51.058269Z",
"structure_string": "Mg16 Sc1 Al12\n1.0\n8.622988 0.010100 2.992685\n-4.286683 7.482003 2.992685\n-0.008907 -0.015390 8.962840\nMg Sc Al\n16 1 12\ndirect\n0.399664 0.399663 0.281656 Mg\n0.314390 0.605430 0.996959 Mg\n0.000553 0.318962 0.393649 Mg\n0.996286 0.335456 0.007752 Mg\n0.290230 0.684243 0.315605 Mg\n0.599645 0.001867 0.685202 Mg\n0.001867 0.599644 0.685202 Mg\n0.684244 0.290230 0.315605 Mg\n0.398856 0.714410 0.604053 Mg\n0.318962 0.000553 0.393649 Mg\n0.714410 0.398856 0.604053 Mg\n0.605430 0.314390 0.996959 Mg\n-0.000529 -0.000529 0.002526 Mg\n0.656774 0.656774 0.348896 Mg\n0.004889 0.004889 0.649809 Mg\n0.335456 0.996286 0.007752 Mg\n0.684839 0.684838 0.720655 Sc\n0.179230 0.364998 0.633617 Al\n0.822224 0.184741 0.811426 Al\n0.634126 0.000604 0.181514 Al\n0.000604 0.634125 0.181514 Al\n0.184741 0.822224 0.811426 Al\n0.184124 0.184124 0.180873 Al\n0.995588 0.810267 0.372900 Al\n0.812375 0.632713 0.997365 Al\n0.372924 0.372924 0.815491 Al\n0.810267 0.995588 0.372900 Al\n0.364998 0.179230 0.633617 Al\n0.632713 0.812374 0.997365 Al\n",
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{
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"created_at": "2022-09-04T14:38:51.099731Z",
"updated_at": "2022-09-04T14:38:51.099765Z",
"structure_string": "K1 U2 Sb1 Se8\n1.0\n6.874206 0.012557 1.064741\n-2.505567 6.401328 1.064741\n0.026465 0.038855 7.415028\nK U Sb Se\n1 2 1 8\ndirect\n0.117791 0.117791 0.529416 K\n0.495224 -0.004069 0.016550 U\n-0.004070 0.495224 0.016550 U\n0.582066 0.582066 0.665592 Sb\n0.063904 0.809134 0.234820 Se\n0.809134 0.063905 0.234820 Se\n0.781334 0.781334 0.893804 Se\n0.269343 0.269343 0.898009 Se\n0.574799 0.314664 0.239494 Se\n0.314664 0.574799 0.239494 Se\n0.812435 0.320349 0.732464 Se\n0.320349 0.812435 0.732464 Se\n",
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],
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"volume": 325.95646662942,
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"formula_full": "K1 U2 Sb1 Se8",
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{
"id": "jvasp-116481",
"created_at": "2022-09-04T14:38:51.016990Z",
"updated_at": "2022-09-04T14:38:51.017011Z",
"structure_string": "Rb1 Hg3 N1 Cl8 O2\n1.0\n10.213231 0.017539 2.568568\n9.382160 4.035527 2.568568\n-0.433244 -0.089611 8.961030\nRb Hg N Cl O\n1 3 1 8 2\ndirect\n0.519719 0.519720 0.793517 Rb\n0.031245 0.031245 0.314972 Hg\n0.856530 0.856532 0.192170 Hg\n0.205300 0.205301 0.448228 Hg\n0.694843 0.694845 0.024360 N\n0.249815 0.249816 0.165670 Cl\n0.803991 0.803993 0.464673 Cl\n0.158918 0.158918 0.720181 Cl\n0.875570 0.875572 0.909652 Cl\n0.614713 0.614715 0.408804 Cl\n0.091552 0.091552 0.054193 Cl\n0.446462 0.446463 0.183539 Cl\n0.961909 0.961911 0.560692 Cl\n0.317881 0.317882 0.813079 O\n0.721842 0.721844 0.902673 O\n",
"nsites": 15,
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"formula_full": "Rb1 Hg3 N1 Cl8 O2",
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}
]
}