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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4487",
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"results": [
{
"id": "jvasp-9093",
"created_at": "2022-09-04T14:37:19.531348Z",
"updated_at": "2022-09-04T14:37:19.531381Z",
"structure_string": "Rb8 Te4\n1.0\n5.552510 -0.000000 0.000000\n-0.000000 8.888148 0.000000\n0.000000 0.000000 10.977699\nRb Te\n8 4\ndirect\n0.750000 0.969080 0.179327 Rb\n0.250000 0.030921 0.820673 Rb\n0.750000 0.469080 0.320673 Rb\n0.250000 0.530921 0.679327 Rb\n0.750000 0.847252 0.570974 Rb\n0.250000 0.152748 0.429026 Rb\n0.750000 0.347252 0.929026 Rb\n0.250000 0.652749 0.070974 Rb\n0.750000 0.753451 0.884839 Te\n0.250000 0.246549 0.115161 Te\n0.750000 0.253451 0.615161 Te\n0.250000 0.746549 0.384839 Te\n",
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{
"id": "jvasp-98769",
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"structure_string": "Te2 S8 N8 Cl8\n1.0\n7.035868 0.027496 1.088873\n1.245859 8.719087 0.788060\n0.033325 0.015588 8.842756\nTe S N Cl\n2 8 8 8\ndirect\n0.577211 0.697552 0.949123 Te\n0.077211 0.949123 0.697552 Te\n0.029056 0.496339 0.963394 S\n0.882194 0.242908 0.170299 S\n0.910734 0.707540 0.186669 S\n0.410734 0.186670 0.707540 S\n0.382194 0.170299 0.242907 S\n0.261222 0.411860 0.467774 S\n0.761222 0.467775 0.411860 S\n0.529057 0.963394 0.496338 S\n0.009231 0.329214 0.041195 N\n0.350996 0.040427 0.626311 N\n0.351939 0.344768 0.613683 N\n0.851939 0.613684 0.344768 N\n0.245463 0.299755 0.339829 N\n0.850997 0.626311 0.040426 N\n0.509230 0.041195 0.329214 N\n0.745463 0.339830 0.299754 N\n0.308498 0.697732 0.674393 Cl\n0.172611 0.954244 0.964543 Cl\n0.928411 0.223434 0.697462 Cl\n0.808499 0.674393 0.697731 Cl\n0.049580 0.951293 0.417487 Cl\n0.428412 0.697463 0.223434 Cl\n0.549580 0.417487 0.951293 Cl\n0.672611 0.964544 0.954243 Cl\n",
"nsites": 26,
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{
"id": "jvasp-54350",
"created_at": "2022-09-04T14:38:35.770680Z",
"updated_at": "2022-09-04T14:38:35.770715Z",
"structure_string": "Cu12 Bi4 S12\n1.0\n6.754786 0.000000 0.000000\n0.000000 7.532961 0.000000\n0.000000 0.000000 10.650028\nCu Bi S\n12 4 12\ndirect\n0.627218 0.364859 0.082625 Cu\n0.872783 0.635141 0.582625 Cu\n0.063564 0.311484 0.599313 Cu\n0.029919 0.952997 0.546737 Cu\n0.436436 0.688516 0.099313 Cu\n0.127218 0.135141 0.917375 Cu\n0.372783 0.864859 0.417375 Cu\n0.936436 0.811484 0.900687 Cu\n0.529919 0.547003 0.453263 Cu\n0.563565 0.188516 0.400687 Cu\n0.970082 0.452997 0.953263 Cu\n0.470081 0.047003 0.046737 Cu\n0.127052 0.327882 0.260624 Bi\n0.372949 0.672118 0.760624 Bi\n0.627052 0.172118 0.739377 Bi\n0.872949 0.827882 0.239377 Bi\n0.397314 0.320702 0.567291 S\n0.102686 0.679298 0.067291 S\n0.602687 0.820702 0.932709 S\n0.120829 0.944062 0.750533 S\n0.411069 0.305651 0.924853 S\n0.088931 0.694349 0.424853 S\n0.911069 0.194349 0.075147 S\n0.588931 0.805651 0.575147 S\n0.379171 0.055938 0.250532 S\n0.897314 0.179298 0.432709 S\n0.879171 0.444062 0.749468 S\n0.620830 0.555938 0.249468 S\n",
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{
"id": "jvasp-19077",
"created_at": "2022-09-04T14:37:09.569612Z",
"updated_at": "2022-09-04T14:37:09.569638Z",
"structure_string": "Mg4 Al8 S16\n1.0\n5.952668 0.000000 0.000000\n-0.000000 7.255276 0.000000\n0.000000 0.000000 12.554974\nMg Al S\n4 8 16\ndirect\n0.002348 0.750000 0.266200 Mg\n0.502348 0.250000 0.233800 Mg\n0.997653 0.250000 0.733800 Mg\n0.497653 0.750000 0.766199 Mg\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.411368 0.250000 0.914172 Al\n0.088633 0.250000 0.414172 Al\n0.588633 0.750000 0.085827 Al\n0.911368 0.750000 0.585827 Al\n0.760646 0.995725 0.158869 S\n0.739355 0.995725 0.658869 S\n0.239355 0.004275 0.841130 S\n0.739355 0.504275 0.658869 S\n0.239355 0.495725 0.841130 S\n0.260645 0.004275 0.341131 S\n0.770176 0.750000 0.925816 S\n0.711977 0.250000 0.415219 S\n0.229825 0.250000 0.074184 S\n0.729825 0.750000 0.425816 S\n0.288023 0.750000 0.584780 S\n0.788023 0.250000 0.915219 S\n0.760646 0.504275 0.158869 S\n0.211977 0.750000 0.084780 S\n0.270176 0.250000 0.574184 S\n0.260645 0.495725 0.341131 S\n",
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{
"id": "jvasp-96816",
"created_at": "2022-09-04T14:36:15.494047Z",
"updated_at": "2022-09-04T14:36:15.494080Z",
"structure_string": "Na3 Nd3 H6 S6 O27\n1.0\n6.972492 -0.000000 -0.000000\n-3.486246 6.038355 0.000000\n0.000000 0.000000 12.884591\nNa Nd H S O\n3 3 6 6 27\ndirect\n0.529221 0.529222 0.500000 Na\n0.470778 0.000000 0.833333 Na\n-0.000000 0.470779 0.166667 Na\n0.432926 0.000000 0.333333 Nd\n-0.000000 0.432927 0.666667 Nd\n0.567073 0.567074 0.000000 Nd\n0.043571 0.099855 0.372311 H\n0.099855 0.043571 0.627689 H\n0.943716 0.900146 0.294355 H\n0.956429 0.056284 0.961022 H\n0.900145 0.943717 0.705645 H\n0.056284 0.956430 0.038978 H\n0.545269 0.558283 0.244336 S\n0.441717 0.986987 0.577669 S\n0.013013 0.454731 0.911003 S\n0.986986 0.441717 0.422331 S\n0.558283 0.545270 0.755663 S\n0.454730 0.013013 0.088997 S\n0.388507 0.130048 0.511413 O\n0.869952 0.258460 0.844747 O\n0.167550 0.409401 0.970629 O\n0.241850 0.832450 0.637296 O\n0.132925 0.643385 0.838235 O\n0.643384 0.132925 0.161765 O\n0.121104 0.617886 0.346938 O\n0.617885 0.121105 0.653061 O\n0.510459 0.867076 0.504901 O\n0.832449 0.241850 0.362704 O\n0.496780 0.878896 0.013606 O\n0.758150 0.590600 0.696038 O\n0.077781 0.000000 0.333333 O\n0.590599 0.758151 0.303962 O\n0.356616 0.489541 0.171568 O\n0.867075 0.510459 0.495099 O\n0.503219 0.382115 0.319727 O\n0.382115 0.503220 0.680272 O\n0.409400 0.167551 0.029371 O\n0.130048 0.388508 0.488587 O\n0.878895 0.496781 0.986394 O\n0.922219 0.922220 0.000000 O\n0.611492 0.741541 0.821920 O\n-0.000000 0.077781 0.666667 O\n0.489541 0.356616 0.828432 O\n0.741540 0.611493 0.178080 O\n0.258459 0.869953 0.155253 O\n",
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{
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"created_at": "2022-09-04T14:36:31.124827Z",
"updated_at": "2022-09-04T14:36:31.124843Z",
"structure_string": "H24 C28 S2 N4\n1.0\n5.878051 0.000029 -0.000128\n0.000299 7.321886 0.000115\n0.000304 -0.000051 12.605569\nH C S N\n24 28 2 4\ndirect\n0.864035 0.550487 0.378184 H\n0.141201 0.292945 0.239910 H\n0.141218 0.292936 0.074924 H\n0.277615 0.050508 0.936649 H\n0.187754 0.926542 0.757994 H\n0.594471 0.250360 0.967362 H\n0.588209 0.901358 0.657422 H\n0.853306 0.787540 0.657422 H\n0.277600 0.050501 0.378180 H\n0.187745 0.926532 0.556837 H\n0.502856 0.126680 0.526494 H\n0.594459 0.250366 0.347477 H\n0.502862 0.126679 0.788345 H\n0.000381 0.792947 0.074918 H\n0.000398 0.792961 0.239911 H\n0.953929 0.426517 0.556837 H\n0.638776 0.626701 0.526484 H\n0.553477 0.401386 0.657417 H\n0.288411 0.287546 0.657420 H\n0.547137 0.750377 0.347467 H\n0.953923 0.426530 0.757987 H\n0.864019 0.550492 0.936640 H\n0.638774 0.626695 0.788351 H\n0.547126 0.750360 0.967369 H\n0.773250 0.923871 0.657419 C\n0.838262 0.017944 0.554643 C\n0.058049 0.002237 0.513128 C\n0.109322 0.069949 0.412487 C\n0.673914 0.110877 0.494677 C\n0.838269 0.017949 0.760192 C\n0.673922 0.110879 0.820160 C\n0.109335 0.069956 0.902344 C\n0.940549 0.153648 0.962933 C\n0.722925 0.178760 0.920822 C\n0.904097 0.145606 0.157416 C\n0.722914 0.178761 0.394014 C\n0.058058 0.002244 0.801703 C\n0.940535 0.153648 0.351900 C\n0.467719 0.610888 0.494670 C\n0.083600 0.502237 0.801699 C\n0.201079 0.653650 0.351898 C\n0.032313 0.569942 0.412487 C\n0.083608 0.502228 0.513127 C\n0.237495 0.645599 0.157414 C\n0.418699 0.678769 0.394008 C\n0.303393 0.517949 0.554639 C\n0.303389 0.517954 0.760190 C\n0.467714 0.610886 0.820162 C\n0.418689 0.678760 0.920824 C\n0.201064 0.653645 0.962931 C\n0.032300 0.569946 0.902338 C\n0.368430 0.423884 0.657416 C\n0.439251 0.478716 0.157416 S\n0.702330 0.978747 0.157416 S\n0.995543 0.215343 0.066906 N\n0.146055 0.715342 0.066904 N\n0.146074 0.715357 0.247925 N\n0.995527 0.215350 0.247926 N\n",
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{
"id": "jvasp-55650",
"created_at": "2022-09-04T14:38:08.508084Z",
"updated_at": "2022-09-04T14:38:08.508119Z",
"structure_string": "Rb4 Cd4 Cl12\n1.0\n4.062515 0.000000 0.000000\n0.000000 8.926731 0.000000\n0.000000 0.000000 14.963538\nRb Cd Cl\n4 4 12\ndirect\n0.750001 0.075005 0.326284 Rb\n0.250000 0.924995 0.673716 Rb\n0.750001 0.575005 0.173716 Rb\n0.250000 0.424995 0.826284 Rb\n0.750001 0.333140 0.557352 Cd\n0.250000 0.666860 0.442648 Cd\n0.750001 0.833140 0.942648 Cd\n0.250000 0.166860 0.057352 Cd\n0.250000 0.027373 0.898453 Cl\n0.750001 0.972627 0.101547 Cl\n0.250000 0.527373 0.601547 Cl\n0.250000 0.788958 0.289660 Cl\n0.750001 0.711042 0.789660 Cl\n0.750001 0.832340 0.504465 Cl\n0.750001 0.332340 0.995535 Cl\n0.250000 0.667660 0.004465 Cl\n0.750001 0.211042 0.710340 Cl\n0.750001 0.472627 0.398453 Cl\n0.250000 0.288958 0.210340 Cl\n0.250000 0.167660 0.495535 Cl\n",
"nsites": 20,
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{
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"updated_at": "2022-09-04T14:38:33.204640Z",
"structure_string": "K2 P4 Au2 S14\n1.0\n3.932615 4.603190 -0.038080\n-3.932614 4.603190 0.038078\n-0.618569 -0.000002 14.994323\nK P Au S\n2 4 2 14\ndirect\n0.245422 0.245422 0.750000 K\n0.754578 0.754578 0.250000 K\n0.647965 0.684449 0.638136 P\n0.684449 0.647966 0.861864 P\n0.352034 0.315551 0.361864 P\n0.315551 0.352035 0.138136 P\n0.000001 0.499999 0.500000 Au\n0.499999 0.000000 0.000000 Au\n0.155979 0.230759 0.029744 S\n0.230759 0.155979 0.470256 S\n0.844021 0.769242 0.970256 S\n0.769242 0.844022 0.529744 S\n0.643567 0.206740 0.115131 S\n0.206740 0.643568 0.384869 S\n0.730500 0.323781 0.845120 S\n0.793260 0.356432 0.615131 S\n0.269500 0.676219 0.154880 S\n0.815211 0.815212 0.750000 S\n0.676220 0.269500 0.345120 S\n0.323781 0.730500 0.654880 S\n0.356432 0.793261 0.884869 S\n0.184788 0.184789 0.250000 S\n",
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{
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"created_at": "2022-09-04T14:35:59.086291Z",
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"structure_string": "Ba2 Ti4 P8 O28\n1.0\n7.433082 0.039353 1.191646\n-0.068884 7.432867 1.191646\n0.003705 0.003760 9.824146\nBa Ti P O\n2 4 8 28\ndirect\n0.500000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.444921 0.555079 0.250000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.555080 0.444921 0.750001 Ti\n0.823699 0.735327 0.299162 P\n0.735328 0.823699 0.799162 P\n0.264673 0.176301 0.200839 P\n0.631132 0.252609 0.061324 P\n0.252610 0.631132 0.561324 P\n0.368869 0.747391 0.938677 P\n0.747391 0.368868 0.438677 P\n0.176301 0.264673 0.700839 P\n0.560763 0.369485 0.393139 O\n0.128922 0.477657 0.663780 O\n0.522344 0.871079 0.836222 O\n0.842194 0.193628 0.412064 O\n0.806372 0.157806 0.087937 O\n0.157807 0.806372 0.587937 O\n0.193629 0.842194 0.912064 O\n0.951653 0.787792 0.162638 O\n0.369486 0.560763 0.893139 O\n0.212208 0.048348 0.337363 O\n0.048348 0.212208 0.837363 O\n0.787793 0.951652 0.662638 O\n0.622231 0.745717 0.290562 O\n0.254283 0.377769 0.209439 O\n0.377770 0.254283 0.709440 O\n0.745718 0.622231 0.790562 O\n0.860961 0.829557 0.417659 O\n0.170443 0.139039 0.082342 O\n0.139040 0.170443 0.582342 O\n0.829558 0.860961 0.917659 O\n0.871079 0.522343 0.336221 O\n0.477657 0.128921 0.163780 O\n0.399476 0.737302 0.089328 O\n0.262698 0.600524 0.410672 O\n0.600525 0.262698 0.910673 O\n0.737303 0.399476 0.589329 O\n0.439237 0.630515 0.606862 O\n0.630515 0.439237 0.106862 O\n",
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"formula_full": "Ba2 Ti4 P8 O28",
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{
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{
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"created_at": "2022-09-04T14:35:48.758808Z",
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}