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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4060",
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"results": [
{
"id": "jvasp-60650",
"created_at": "2022-09-04T14:36:31.611884Z",
"updated_at": "2022-09-04T14:36:31.611907Z",
"structure_string": "Ta4 Co4 Te8\n1.0\n0.000000 7.793832 0.012713\n6.330801 0.000000 0.000000\n0.000000 -3.560993 -7.485282\nTa Co Te\n4 4 8\ndirect\n0.309658 0.978266 0.515434 Ta\n0.190343 0.478266 0.484566 Ta\n0.690343 0.021734 0.484566 Ta\n0.809658 0.521734 0.515434 Ta\n0.941087 0.850200 0.395437 Co\n0.058913 0.149800 0.604563 Co\n0.441087 0.649799 0.395437 Co\n0.558913 0.350200 0.604564 Co\n0.355584 0.254839 0.270059 Te\n0.855584 0.245161 0.270059 Te\n0.144417 0.754839 0.729941 Te\n0.644417 0.745161 0.729941 Te\n0.907681 0.250301 0.812777 Te\n0.592319 0.750301 0.187224 Te\n0.092319 0.749699 0.187224 Te\n0.407681 0.249699 0.812776 Te\n",
"nsites": 16,
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],
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"density": 8.91055360214662,
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"volume": 369.04619078831377,
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{
"id": "jvasp-99163",
"created_at": "2022-09-04T14:36:31.634889Z",
"updated_at": "2022-09-04T14:36:31.634928Z",
"structure_string": "Li12 Br6 N2\n1.0\n6.180680 0.000000 -0.033418\n0.000000 6.281096 0.000000\n-0.020883 0.000000 8.975145\nLi Br N\n12 6 2\ndirect\n0.398977 0.430292 0.695829 Li\n0.337170 0.264225 0.422454 Li\n0.837170 0.235775 0.922454 Li\n0.601024 0.569709 0.304171 Li\n0.662831 0.735775 0.577546 Li\n0.101024 0.930292 0.804172 Li\n0.898976 0.069709 0.195828 Li\n0.750484 0.330121 0.535649 Li\n0.249517 0.669879 0.464351 Li\n0.250483 0.169879 0.035649 Li\n0.749517 0.830121 0.964351 Li\n0.162831 0.764226 0.077546 Li\n0.007113 0.480590 0.256667 Br\n0.992888 0.519410 0.743333 Br\n0.507113 0.019410 0.756667 Br\n0.492887 0.980591 0.243333 Br\n0.500000 0.500000 -0.000000 Br\n0.000000 0.000000 0.500000 Br\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 20,
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"elements": [
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"Br",
"N"
],
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{
"id": "jvasp-101372",
"created_at": "2022-09-04T14:36:31.669246Z",
"updated_at": "2022-09-04T14:36:31.669271Z",
"structure_string": "Rb4 Er4 Se4 Cl8 O12\n1.0\n6.511818 0.000000 -0.815699\n0.000000 6.926431 0.000000\n-0.012108 0.000000 16.615293\nRb Er Se Cl O\n4 4 4 8 12\ndirect\n0.177675 0.198958 0.940092 Rb\n0.677676 0.301042 0.440092 Rb\n0.822325 0.801042 0.059908 Rb\n0.322325 0.698958 0.559907 Rb\n0.876647 0.653257 0.740402 Er\n0.623353 0.153257 0.759598 Er\n0.123353 0.346743 0.259598 Er\n0.376647 0.846743 0.240402 Er\n0.923590 0.841232 0.297518 Se\n0.423589 0.658768 0.797518 Se\n0.576411 0.341232 0.202482 Se\n0.076410 0.158768 0.702482 Se\n0.674362 0.135681 0.918766 Cl\n0.493494 0.162211 0.604020 Cl\n0.993494 0.337789 0.104020 Cl\n0.006506 0.662211 0.895979 Cl\n0.325638 0.864319 0.081234 Cl\n0.825638 0.635681 0.581233 Cl\n0.506506 0.837789 0.395979 Cl\n0.174362 0.364319 0.418766 Cl\n0.423674 0.169768 0.243251 O\n0.716838 0.851633 0.225295 O\n0.919713 0.975948 0.732208 O\n0.419713 0.524051 0.232208 O\n0.923674 0.330232 0.743251 O\n0.576326 0.830232 0.756749 O\n0.080287 0.024051 0.267792 O\n0.216837 0.648367 0.725295 O\n0.076326 0.669768 0.256749 O\n0.580287 0.475949 0.767792 O\n0.283162 0.148367 0.774705 O\n0.783163 0.351633 0.274705 O\n",
"nsites": 32,
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"Cl",
"O"
],
"chemical_system": "Cl-Er-O-Rb-Se",
"density": 3.9940314217137,
"density_atomic": 0.042704127565326246,
"volume": 749.3420852831683,
"volume_molar": 14.102010984272388,
"formula_full": "Rb4 Er4 Se4 Cl8 O12",
"formula_reduced": "RbErSeCl2O3",
"formula_anonymous": "ABCD2E3",
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{
"id": "jvasp-99313",
"created_at": "2022-09-04T14:36:31.863129Z",
"updated_at": "2022-09-04T14:36:31.863150Z",
"structure_string": "Na4 Er4 P16 O48\n1.0\n7.167550 -0.002679 0.000000\n-0.118782 9.630544 0.000000\n0.000000 0.000000 12.984137\nNa Er P O\n4 4 16 48\ndirect\n0.499929 0.060918 0.779228 Na\n-0.000071 0.560918 0.720773 Na\n0.500071 0.939081 0.220773 Na\n0.000071 0.439081 0.279227 Na\n0.986136 0.023594 0.216146 Er\n0.513864 0.476406 0.716146 Er\n0.013864 0.976406 0.783854 Er\n0.486136 0.523594 0.283854 Er\n0.150123 0.305422 0.870075 P\n0.650123 0.805421 0.629925 P\n0.849878 0.694578 0.129925 P\n0.375266 0.761628 0.884800 P\n0.749443 0.246356 0.896448 P\n0.750557 0.253644 0.396448 P\n0.730806 0.800663 0.408700 P\n0.250557 0.753643 0.103552 P\n0.124735 0.738372 0.384800 P\n0.230806 0.300663 0.091300 P\n0.269195 0.199337 0.591300 P\n0.769195 0.699337 0.908701 P\n0.249443 0.746356 0.603552 P\n0.624735 0.238372 0.115200 P\n0.875266 0.261628 0.615201 P\n0.349877 0.194578 0.370075 P\n0.413282 0.205532 0.079892 O\n0.433243 0.294398 0.609398 O\n0.727123 0.893276 0.715469 O\n0.272878 0.106723 0.284532 O\n0.129332 0.854202 0.308571 O\n0.370668 0.645798 0.808571 O\n0.870668 0.145798 0.691430 O\n0.629332 0.354202 0.191430 O\n0.913282 0.705532 0.420108 O\n0.586718 0.794467 0.920108 O\n0.086718 0.294468 0.579892 O\n0.227123 0.393277 0.784532 O\n0.205315 0.602505 0.352801 O\n0.930668 0.339119 0.870853 O\n0.787153 0.093273 0.891861 O\n0.287154 0.593273 0.608140 O\n0.212847 0.906726 0.108140 O\n0.909351 0.202315 0.330996 O\n0.590649 0.297685 0.830996 O\n0.090649 0.797685 0.669004 O\n0.712847 0.406727 0.391861 O\n0.409351 0.702315 0.169004 O\n0.236880 0.082420 0.665486 O\n0.736880 0.582420 0.834514 O\n0.763121 0.917579 0.334514 O\n0.705315 0.102505 0.147199 O\n0.794685 0.397494 0.647199 O\n0.294685 0.897494 0.852801 O\n0.263120 0.417580 0.165486 O\n0.430668 0.839119 0.629148 O\n0.566757 0.705601 0.390602 O\n0.933243 0.794398 0.890602 O\n0.569332 0.160880 0.370853 O\n0.216688 0.797992 0.487646 O\n0.283313 0.702007 0.987646 O\n0.783313 0.202008 0.512354 O\n0.716687 0.297992 0.012354 O\n0.780918 0.629866 0.021988 O\n0.772878 0.606723 0.215469 O\n0.719082 0.870133 0.521988 O\n0.280918 0.129866 0.478013 O\n0.323698 0.348306 0.368941 O\n0.176303 0.151693 0.868942 O\n0.676303 0.651693 0.631059 O\n0.823698 0.848306 0.131059 O\n0.066757 0.205602 0.109398 O\n0.219082 0.370134 0.978013 O\n0.069332 0.660880 0.129147 O\n",
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"density_atomic": 0.0803340862656353,
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"formula_full": "Na4 Er4 P16 O48",
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"formula_anonymous": "ABC4D12",
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},
{
"id": "jvasp-58164",
"created_at": "2022-09-04T14:36:32.170892Z",
"updated_at": "2022-09-04T14:36:32.170915Z",
"structure_string": "Mg4 Ti2 Ir2 O12\n1.0\n0.000000 5.142560 0.011432\n5.312342 0.000000 0.000000\n0.000000 -5.113236 -7.516085\nMg Ti Ir O\n4 2 2 12\ndirect\n0.247860 0.945291 0.253351 Mg\n0.752140 0.445291 0.246650 Mg\n0.247860 0.554708 0.753351 Mg\n0.752140 0.054709 0.746650 Mg\n0.000000 0.500000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.102656 0.812627 0.928353 O\n0.256863 0.321511 0.937153 O\n0.897344 0.312627 0.571648 O\n0.622471 0.069586 0.252337 O\n0.377529 0.930413 0.747664 O\n0.897344 0.187373 0.071648 O\n0.743137 0.678489 0.062848 O\n0.256863 0.178489 0.437152 O\n0.743137 0.821511 0.562849 O\n0.622471 0.430413 0.752337 O\n0.102657 0.687372 0.428353 O\n0.377529 0.569586 0.247664 O\n",
"nsites": 20,
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"formula_full": "Mg4 Ti2 Ir2 O12",
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{
"id": "jvasp-99314",
"created_at": "2022-09-04T14:36:32.280374Z",
"updated_at": "2022-09-04T14:36:32.280405Z",
"structure_string": "Ca4 Cu4 P8 O28\n1.0\n5.249704 0.000000 -0.115806\n0.000000 8.063472 0.000000\n0.016553 0.000000 12.304961\nCa Cu P O\n4 4 8 28\ndirect\n0.786985 0.179746 0.777623 Ca\n0.713013 0.679746 0.722376 Ca\n0.286986 0.320254 0.277623 Ca\n0.213013 0.820254 0.222376 Ca\n0.796424 0.139439 0.110661 Cu\n0.703575 0.639439 0.389338 Cu\n0.203575 0.860561 0.889338 Cu\n0.296424 0.360561 0.610661 Cu\n0.756676 0.526584 0.161959 P\n0.743322 0.026585 0.338040 P\n0.243322 0.473415 0.838041 P\n0.312286 0.201012 0.986335 P\n0.187713 0.701011 0.513665 P\n0.687713 0.798988 0.013665 P\n0.812286 0.298988 0.486335 P\n0.256677 0.973415 0.661959 P\n0.348863 0.604351 0.599611 O\n0.431669 0.375255 0.768001 O\n0.068330 0.875255 0.731999 O\n0.568329 0.624745 0.231999 O\n0.931669 0.124745 0.268000 O\n0.151136 0.104351 0.900389 O\n0.718640 0.319682 0.600672 O\n0.154411 0.150229 0.654160 O\n0.781358 0.819682 0.899327 O\n0.281359 0.680318 0.399327 O\n0.218640 0.180318 0.100672 O\n0.599215 0.165854 0.969572 O\n0.900783 0.665854 0.530427 O\n0.400784 0.834146 0.030427 O\n0.099216 0.334146 0.469572 O\n0.968223 0.459509 0.798157 O\n0.651136 0.395649 0.400389 O\n0.531775 0.959509 0.701843 O\n0.468223 0.040490 0.298157 O\n0.262722 0.395439 0.958196 O\n0.237277 0.895439 0.541804 O\n0.737277 0.604560 0.041804 O\n0.762721 0.104560 0.458196 O\n0.654411 0.349771 0.154160 O\n0.845587 0.849771 0.345839 O\n0.345588 0.650229 0.845839 O\n0.031776 0.540490 0.201843 O\n0.848863 0.895649 0.099611 O\n",
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"formula_full": "Ca4 Cu4 P8 O28",
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{
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"created_at": "2022-09-04T14:36:32.593931Z",
"updated_at": "2022-09-04T14:36:32.593957Z",
"structure_string": "Ni2 S4\n1.0\n5.324700 0.000000 0.000000\n0.000000 3.441581 1.788702\n0.000000 0.028729 5.415955\nNi S\n2 4\ndirect\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 -0.000000 Ni\n0.116519 0.662364 0.824705 S\n0.383481 0.662364 0.324704 S\n0.883481 0.337636 0.175296 S\n0.616519 0.337636 0.675296 S\n",
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{
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{
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"created_at": "2022-09-04T14:36:32.442293Z",
"updated_at": "2022-09-04T14:36:32.442314Z",
"structure_string": "V6 O4 F12\n1.0\n0.000000 5.413791 -0.035964\n4.711936 0.000000 0.000000\n0.000000 -1.025213 -9.984340\nV O F\n6 4 12\ndirect\n0.500000 0.500000 -0.000000 V\n0.266942 0.980590 0.755370 V\n0.733058 0.480590 0.744630 V\n0.500000 0.000000 0.500000 V\n0.266942 0.519411 0.255370 V\n0.733058 0.019410 0.244630 V\n0.472141 0.684870 0.822657 O\n0.527860 0.184870 0.677343 O\n0.472141 0.815131 0.322657 O\n0.527859 0.315131 0.177343 O\n0.028214 0.218372 0.194167 F\n0.971786 0.718373 0.305833 F\n0.784299 0.176024 0.426268 F\n0.304995 0.316050 0.424427 F\n0.695006 0.683951 0.575572 F\n0.304995 0.183950 0.924427 F\n0.028214 0.281628 0.694167 F\n0.971786 0.781628 0.805833 F\n0.784299 0.323977 0.926268 F\n0.215701 0.676024 0.073732 F\n0.215701 0.823977 0.573732 F\n0.695005 0.816050 0.075572 F\n",
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{
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