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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4601",
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"results": [
{
"id": "jvasp-59071",
"created_at": "2022-09-04T14:37:01.710984Z",
"updated_at": "2022-09-04T14:37:01.711004Z",
"structure_string": "Rb12 B4 S12\n1.0\n0.000000 10.113782 -0.034226\n6.372116 0.000000 0.000000\n0.000000 -3.068053 -12.696385\nRb B S\n12 4 12\ndirect\n0.400100 0.061030 0.299490 Rb\n0.599900 0.561030 0.200510 Rb\n0.599900 0.938971 0.700510 Rb\n0.400100 0.438971 0.799490 Rb\n0.035145 0.221779 0.358920 Rb\n0.964855 0.721779 0.141080 Rb\n0.964855 0.778222 0.641080 Rb\n0.035146 0.278221 0.858919 Rb\n0.260020 0.848744 0.992203 Rb\n0.739980 0.348744 0.507797 Rb\n0.739980 0.151257 0.007797 Rb\n0.260020 0.651257 0.492203 Rb\n0.233537 0.120471 0.627267 B\n0.766463 0.620472 0.872732 B\n0.766463 0.879529 0.372733 B\n0.233537 0.379529 0.127268 B\n0.341236 0.344035 0.033213 S\n0.658764 0.844035 0.466787 S\n0.658764 0.655965 0.966787 S\n0.341236 0.155965 0.533213 S\n0.082688 0.214439 0.118368 S\n0.917312 0.714439 0.381632 S\n0.917312 0.785562 0.881632 S\n0.082688 0.285562 0.618368 S\n0.282824 0.573632 0.234166 S\n0.717176 0.073632 0.265834 S\n0.717177 0.426369 0.765834 S\n0.282824 0.926369 0.734166 S\n",
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"volume": 818.902784664388,
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"formula_full": "Rb12 B4 S12",
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{
"id": "jvasp-91411",
"created_at": "2022-09-04T14:36:00.999015Z",
"updated_at": "2022-09-04T14:36:00.999025Z",
"structure_string": "Ba8 Sn4 S16\n1.0\n8.122023 0.000000 -2.722271\n0.000000 8.571933 0.000000\n-0.159548 0.000000 11.817070\nBa Sn S\n8 4 16\ndirect\n0.307417 0.804369 0.350063 Ba\n0.192583 0.304369 0.149937 Ba\n0.692583 0.195630 0.649937 Ba\n0.807416 0.695630 0.850063 Ba\n0.737533 0.874671 0.164399 Ba\n0.762467 0.374671 0.335601 Ba\n0.262467 0.125329 0.835601 Ba\n0.237533 0.625329 0.664399 Ba\n0.308866 0.686897 0.008707 Sn\n0.191133 0.186898 0.491293 Sn\n0.691133 0.313102 0.991293 Sn\n0.808866 0.813102 0.508707 Sn\n0.024572 0.307768 0.598955 S\n0.475427 0.807768 0.901045 S\n0.642730 0.614554 0.555102 S\n0.857270 0.114554 0.944898 S\n0.357270 0.385446 0.444898 S\n0.142730 0.885446 0.055102 S\n0.476048 0.600013 0.206254 S\n0.133984 0.481313 0.890193 S\n0.523951 0.399986 0.793746 S\n0.976048 0.899986 0.706254 S\n0.866016 0.518686 0.109807 S\n0.633984 0.018686 0.390194 S\n0.524572 0.192231 0.098955 S\n0.366016 0.981313 0.609806 S\n0.023951 0.100014 0.293746 S\n0.975427 0.692231 0.401045 S\n",
"nsites": 28,
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],
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"density": 4.230421513609841,
"density_atomic": 0.03418810424084459,
"volume": 818.9983218358258,
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"formula_full": "Ba8 Sn4 S16",
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{
"id": "jvasp-12822",
"created_at": "2022-09-04T14:38:18.336588Z",
"updated_at": "2022-09-04T14:38:18.336604Z",
"structure_string": "Rb12 B4 S12\n1.0\n6.371607 0.000000 0.000000\n0.000000 9.834694 -2.377624\n0.000000 0.040689 13.062149\nRb B S\n12 4 12\ndirect\n0.061073 0.599850 0.700453 Rb\n0.561074 0.400149 0.799548 Rb\n0.938927 0.400149 0.299548 Rb\n0.438927 0.599850 0.200452 Rb\n0.221693 0.964981 0.641081 Rb\n0.721693 0.035019 0.858920 Rb\n0.778308 0.035019 0.358920 Rb\n0.278307 0.964981 0.141081 Rb\n0.848898 0.740135 0.007804 Rb\n0.348898 0.259864 0.492196 Rb\n0.151102 0.259864 0.992196 Rb\n0.651102 0.740135 0.507804 Rb\n0.879577 0.233547 0.627280 B\n0.379577 0.766453 0.872720 B\n0.120424 0.766453 0.372720 B\n0.620424 0.233547 0.127280 B\n0.155788 0.658925 0.466846 S\n0.214385 0.917208 0.881581 S\n0.714385 0.082792 0.618420 S\n0.785615 0.082792 0.118420 S\n0.285615 0.917208 0.381581 S\n0.573680 0.717110 0.765813 S\n0.073680 0.282890 0.734187 S\n0.426320 0.282890 0.234187 S\n0.926320 0.717110 0.265813 S\n0.344212 0.658925 0.966846 S\n0.655789 0.341075 0.033154 S\n0.844212 0.341075 0.533154 S\n",
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],
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"density_atomic": 0.03418272077018548,
"volume": 819.127306695314,
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"formula_full": "Rb12 B4 S12",
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{
"id": "jvasp-36960",
"created_at": "2022-09-04T14:37:58.338334Z",
"updated_at": "2022-09-04T14:37:58.338359Z",
"structure_string": "Rb4 Ca4 I12\n1.0\n4.637942 -0.000000 0.000000\n-0.000000 10.354578 0.000000\n0.000000 0.000000 17.060312\nRb Ca I\n4 4 12\ndirect\n0.750000 0.071631 0.323689 Rb\n0.250000 0.928369 0.676311 Rb\n0.750000 0.571632 0.176311 Rb\n0.250000 0.428369 0.823689 Rb\n0.250000 0.167056 0.056142 Ca\n0.750000 0.832944 0.943858 Ca\n0.250000 0.667056 0.443858 Ca\n0.750000 0.332944 0.556142 Ca\n0.750000 0.704570 0.783735 I\n0.250000 0.295431 0.216265 I\n0.750000 0.476344 0.392740 I\n0.250000 0.523656 0.607260 I\n0.750000 0.976344 0.107260 I\n0.250000 0.662510 0.010649 I\n0.250000 0.162510 0.489351 I\n0.750000 0.837490 0.510648 I\n0.250000 0.795431 0.283735 I\n0.750000 0.337490 0.989351 I\n0.250000 0.023656 0.892740 I\n0.750000 0.204569 0.716265 I\n",
"nsites": 20,
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"elements": [
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"Ca",
"I"
],
"chemical_system": "Ca-I-Rb",
"density": 4.104283383818749,
"density_atomic": 0.024410985298249813,
"volume": 819.3032667728464,
"volume_molar": 24.669797988169563,
"formula_full": "Rb4 Ca4 I12",
"formula_reduced": "RbCaI3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-4912",
"created_at": "2022-09-04T14:36:43.697758Z",
"updated_at": "2022-09-04T14:36:43.697790Z",
"structure_string": "K8 Se20\n1.0\n6.615656 0.000000 0.000000\n0.000000 6.994808 0.000000\n0.000000 0.000000 17.705104\nK Se\n8 20\ndirect\n0.882206 0.585635 0.006986 K\n0.382205 0.914365 0.993014 K\n0.117795 0.085635 0.493014 K\n0.617795 0.414365 0.506986 K\n0.091077 0.259195 0.839331 K\n0.591077 0.240805 0.160669 K\n0.908924 0.759195 0.660669 K\n0.408923 0.740805 0.339331 K\n0.587682 0.742836 0.165547 Se\n0.079747 0.145987 0.124938 Se\n0.579747 0.354013 0.875062 Se\n0.396649 0.424028 0.987273 Se\n0.420253 0.854013 0.624938 Se\n0.896650 0.075972 0.012727 Se\n0.087682 0.757165 0.834453 Se\n0.920254 0.645987 0.375062 Se\n0.412319 0.242836 0.334453 Se\n0.756833 0.131486 0.348738 Se\n0.243167 0.631486 0.151261 Se\n0.743168 0.868514 0.848738 Se\n0.103351 0.575972 0.487273 Se\n0.256833 0.368514 0.651261 Se\n0.027826 0.874011 0.207736 Se\n0.527826 0.625989 0.792264 Se\n0.972175 0.374011 0.292264 Se\n0.472174 0.125989 0.707735 Se\n0.912319 0.257164 0.665546 Se\n0.603351 0.924028 0.512727 Se\n",
"nsites": 28,
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"elements": [
"K",
"Se"
],
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"density": 3.8345986300038355,
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"volume": 819.3079990415453,
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"formula_full": "K8 Se20",
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"spacegroup": 19
},
{
"id": "jvasp-98039",
"created_at": "2022-09-04T14:35:55.654731Z",
"updated_at": "2022-09-04T14:35:55.654761Z",
"structure_string": "Ho20 Co4 Sb8\n1.0\n7.809479 -0.000000 0.000000\n-0.000000 8.698904 0.000000\n0.000000 0.000000 12.072102\nHo Co Sb\n20 4 8\ndirect\n0.153968 0.750000 0.797202 Ho\n0.322129 0.461673 0.564774 Ho\n0.822129 0.538327 0.935226 Ho\n0.677871 0.961673 0.435226 Ho\n0.177871 0.038327 0.064774 Ho\n0.177871 0.461673 0.064774 Ho\n0.322129 0.038327 0.564774 Ho\n0.822129 0.961673 0.935226 Ho\n0.879122 0.750000 0.192854 Ho\n0.379122 0.250000 0.307146 Ho\n0.677871 0.538327 0.435226 Ho\n0.620878 0.750000 0.692854 Ho\n0.048439 0.750000 0.502108 Ho\n0.548439 0.250000 0.997891 Ho\n0.951561 0.250000 0.497892 Ho\n0.451561 0.750000 0.002108 Ho\n0.346032 0.750000 0.297202 Ho\n0.846032 0.250000 0.202798 Ho\n0.653968 0.250000 0.702798 Ho\n0.120878 0.250000 0.807146 Ho\n0.069613 0.750000 0.010197 Co\n0.569613 0.250000 0.489803 Co\n0.930387 0.250000 0.989803 Co\n0.430387 0.750000 0.510196 Co\n0.928477 0.508422 0.673185 Sb\n0.928477 0.991577 0.673185 Sb\n0.428477 0.008422 0.826815 Sb\n0.071523 0.491577 0.326815 Sb\n0.571523 0.508422 0.173185 Sb\n0.071523 0.008422 0.326815 Sb\n0.571523 0.991577 0.173185 Sb\n0.428477 0.491577 0.826815 Sb\n",
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"elements": [
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"Co",
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],
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"formula_full": "Ho20 Co4 Sb8",
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},
{
"id": "jvasp-20661",
"created_at": "2022-09-04T14:36:58.496736Z",
"updated_at": "2022-09-04T14:36:58.496758Z",
"structure_string": "S32\n1.0\n0.000000 8.152993 -0.214798\n13.134218 0.000000 0.000000\n0.000000 -5.009839 -7.527221\nS\n32\ndirect\n0.349333 0.343386 0.677949 S\n0.150464 0.128299 0.323053 S\n0.849535 0.128299 0.176947 S\n0.686508 0.107835 0.532835 S\n0.313492 0.107835 0.967165 S\n0.313492 0.892165 0.467165 S\n0.686508 0.892165 0.032835 S\n0.752549 0.969566 0.466678 S\n0.247451 0.969566 0.033323 S\n0.247451 0.030434 0.533323 S\n0.752548 0.030434 0.966677 S\n0.919201 0.205602 0.614733 S\n0.080798 0.205602 0.885267 S\n0.080799 0.794398 0.385267 S\n0.919201 0.794398 0.114733 S\n0.414559 0.321091 0.302623 S\n0.585441 0.321091 0.197377 S\n0.585441 0.678909 0.697377 S\n0.414558 0.678909 0.802623 S\n0.254230 0.557670 0.295700 S\n0.745770 0.557670 0.204300 S\n0.745770 0.442331 0.704300 S\n0.254230 0.442331 0.795700 S\n0.183795 0.420593 0.163577 S\n0.816205 0.420593 0.336423 S\n0.816205 0.579407 0.836423 S\n0.183795 0.579407 0.663577 S\n0.349333 0.656614 0.177949 S\n0.650667 0.656614 0.322051 S\n0.650667 0.343386 0.822051 S\n0.150464 0.871701 0.823053 S\n0.849535 0.871701 0.676947 S\n",
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},
{
"id": "jvasp-58919",
"created_at": "2022-09-04T14:36:53.900085Z",
"updated_at": "2022-09-04T14:36:53.900098Z",
"structure_string": "Na8 Zn4 Br16\n1.0\n6.783793 0.000000 0.000000\n-0.000000 8.426253 0.000000\n0.000000 0.000000 14.352215\nNa Zn Br\n8 4 16\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.010211 0.750000 0.268308 Na\n0.510211 0.250000 0.231692 Na\n0.989788 0.250000 0.731692 Na\n0.489789 0.750000 0.768308 Na\n0.904572 0.750000 0.590164 Zn\n0.404572 0.250000 0.909837 Zn\n0.095427 0.250000 0.409837 Zn\n0.595427 0.750000 0.090164 Zn\n0.752670 0.979532 0.667281 Br\n0.252671 0.020468 0.832719 Br\n0.752670 0.520468 0.667281 Br\n0.252671 0.479532 0.832719 Br\n0.247329 0.020468 0.332719 Br\n0.747329 0.979532 0.167281 Br\n0.738799 0.750000 0.932577 Br\n0.740949 0.250000 0.409265 Br\n0.261201 0.250000 0.067423 Br\n0.761200 0.750000 0.432577 Br\n0.259050 0.750000 0.590735 Br\n0.759050 0.250000 0.909266 Br\n0.747329 0.520468 0.167281 Br\n0.240950 0.750000 0.090735 Br\n0.238799 0.250000 0.567423 Br\n0.247329 0.479532 0.332719 Br\n",
"nsites": 28,
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"elements": [
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"Zn",
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],
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"density": 3.489513785645068,
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"formula_full": "Na8 Zn4 Br16",
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},
{
"id": "jvasp-97008",
"created_at": "2022-09-04T14:36:14.725980Z",
"updated_at": "2022-09-04T14:36:14.725999Z",
"structure_string": "Nb16 O32\n1.0\n6.393024 -0.000000 1.974255\n3.196512 11.080968 0.987127\n-0.073090 0.000000 11.574741\nNb O\n16 32\ndirect\n0.675921 0.399020 0.040237 Nb\n0.283841 0.540237 0.600980 Nb\n0.115179 0.100980 0.459763 Nb\n0.917941 0.855346 0.888400 Nb\n0.726712 0.111600 0.355345 Nb\n0.661687 0.644655 0.611600 Nb\n0.806341 0.611600 0.855345 Nb\n0.574941 0.040237 0.100980 Nb\n0.425058 0.959763 0.899020 Nb\n0.193658 0.388400 0.144655 Nb\n0.273287 0.888400 0.644655 Nb\n0.324078 0.600980 0.959763 Nb\n0.082057 0.144655 0.111600 Nb\n0.716158 0.459763 0.399020 Nb\n0.338312 0.355345 0.388400 Nb\n0.884820 0.899020 0.540237 Nb\n0.830686 0.578634 0.462006 O\n0.947298 0.892249 0.708339 O\n0.607807 0.823804 0.618587 O\n0.909320 0.462006 0.921366 O\n0.068388 0.381413 0.323804 O\n0.655637 0.791661 0.892249 O\n0.344362 0.208339 0.107751 O\n0.773605 0.118587 0.176196 O\n0.339547 0.708339 0.607751 O\n0.311041 0.726012 0.039734 O\n0.292693 0.037994 0.578634 O\n0.688958 0.273988 0.960266 O\n0.537053 0.039733 0.773988 O\n0.923212 0.226012 0.539733 O\n0.462946 0.960267 0.226012 O\n0.392192 0.176196 0.381413 O\n0.660452 0.291661 0.392249 O\n0.052701 0.107751 0.291661 O\n0.931610 0.618587 0.676196 O\n0.707306 0.962006 0.421366 O\n0.050198 0.676196 0.881413 O\n0.128673 0.078634 0.962006 O\n0.169312 0.421366 0.537994 O\n0.649225 0.539734 0.273988 O\n0.226394 0.881413 0.823804 O\n0.090679 0.537994 0.078634 O\n0.350774 0.460267 0.726012 O\n0.949801 0.323804 0.118587 O\n0.871326 0.921366 0.037994 O\n0.076786 0.773988 0.460267 O\n0.547886 0.607751 0.791661 O\n0.452113 0.392249 0.208339 O\n",
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},
{
"id": "jvasp-29425",
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{
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{
"id": "jvasp-56482",
"created_at": "2022-09-04T14:37:42.204538Z",
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"structure_string": "Tl8 Cd2 I12\n1.0\n9.233272 -0.000000 0.000000\n0.000000 9.233272 -0.000000\n0.000000 0.000000 9.684566\nTl Cd I\n8 2 12\ndirect\n0.148337 0.351663 0.250000 Tl\n0.851663 0.648337 0.750000 Tl\n0.148337 0.351663 0.750000 Tl\n0.351663 0.851663 0.250000 Tl\n0.351663 0.851663 0.750000 Tl\n0.851663 0.648337 0.250000 Tl\n0.648337 0.148337 0.250000 Tl\n0.648337 0.148337 0.750000 Tl\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.314542 0.138629 0.000000 I\n0.500000 0.500000 0.204970 I\n0.638629 0.814542 0.500000 I\n0.361371 0.185458 0.500000 I\n0.185458 0.638629 0.500000 I\n0.814542 0.361371 0.500000 I\n0.138629 0.685457 0.000000 I\n0.000000 0.000000 0.704970 I\n0.000000 0.000000 0.295031 I\n0.861371 0.314542 0.000000 I\n0.685457 0.861371 0.000000 I\n0.500000 0.500000 0.795031 I\n",
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