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{
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"results": [
{
"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",
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],
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{
"id": "jvasp-20661",
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"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",
"nsites": 32,
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{
"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",
"nsites": 32,
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"elements": [
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],
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"volume": 820.1050679748124,
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"formula_full": "Ho20 Co4 Sb8",
"formula_reduced": "Ho5CoSb2",
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},
{
"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": [
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],
"chemical_system": "K-Se",
"density": 3.8345986300038355,
"density_atomic": 0.03417518202282337,
"volume": 819.3079990415453,
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"formula_full": "K8 Se20",
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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",
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],
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"density": 4.104283383818749,
"density_atomic": 0.024410985298249813,
"volume": 819.3032667728464,
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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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"volume": 819.127306695314,
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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",
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"density": 4.230421513609841,
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{
"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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"spacegroup": 14
},
{
"id": "jvasp-96931",
"created_at": "2022-09-04T14:35:51.879250Z",
"updated_at": "2022-09-04T14:35:51.879276Z",
"structure_string": "Ho20 Si16\n1.0\n7.371981 0.000000 0.000000\n0.000000 7.667785 0.000000\n0.000000 0.000000 14.486083\nHo Si\n20 16\ndirect\n0.652681 0.988434 0.750000 Ho\n0.678714 0.821035 0.376754 Ho\n0.178714 0.678964 0.123245 Ho\n0.321286 0.178964 0.876754 Ho\n0.321286 0.178964 0.623245 Ho\n0.821286 0.321036 0.876754 Ho\n0.178714 0.678964 0.376754 Ho\n0.678714 0.821035 0.123245 Ho\n0.976574 0.817866 0.597389 Ho\n0.476574 0.682133 0.902611 Ho\n0.821286 0.321036 0.623245 Ho\n0.023426 0.182134 0.097389 Ho\n0.023426 0.182134 0.402611 Ho\n0.523426 0.317866 0.097389 Ho\n0.476574 0.682133 0.597389 Ho\n0.976574 0.817866 0.902611 Ho\n0.347318 0.011565 0.250000 Ho\n0.847318 0.488434 0.250000 Ho\n0.152682 0.511565 0.750000 Ho\n0.523426 0.317866 0.402611 Ho\n0.652364 0.029478 0.539589 Si\n0.152364 0.470522 0.960411 Si\n0.152364 0.470522 0.539589 Si\n0.652364 0.029478 0.960411 Si\n0.347636 0.970522 0.460411 Si\n0.847636 0.529478 0.039589 Si\n0.975391 0.895898 0.250000 Si\n0.228004 0.370355 0.250000 Si\n0.524608 0.395898 0.750000 Si\n0.024608 0.104102 0.750000 Si\n0.728004 0.129645 0.250000 Si\n0.271996 0.870354 0.750000 Si\n0.771996 0.629645 0.750000 Si\n0.347636 0.970522 0.039589 Si\n0.475391 0.604102 0.250000 Si\n0.847636 0.529478 0.460411 Si\n",
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"elements": [
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],
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"density": 7.6004728122366485,
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"volume": 818.8514143221059,
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"formula_full": "Ho20 Si16",
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{
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"updated_at": "2022-09-04T14:37:44.905619Z",
"structure_string": "Si34\n1.0\n9.092536 0.000000 5.249579\n3.030846 8.572525 5.249579\n0.000000 0.000000 10.499156\nSi\n34\ndirect\n0.875001 0.875000 0.875000 Si\n0.739186 0.504410 0.128203 Si\n0.871797 0.260814 0.871797 Si\n0.260815 0.871797 0.871797 Si\n0.871798 0.871797 0.260814 Si\n0.871798 0.871797 0.495591 Si\n0.871797 0.495591 0.260814 Si\n0.495591 0.871797 0.260814 Si\n0.128203 0.504410 0.128203 Si\n0.128203 0.739186 0.504409 Si\n0.739186 0.128203 0.504409 Si\n0.504410 0.128203 0.128203 Si\n0.128203 0.504410 0.739186 Si\n0.504410 0.128203 0.739186 Si\n0.128203 0.739186 0.128203 Si\n0.739186 0.128203 0.128203 Si\n0.495591 0.260814 0.871797 Si\n0.260815 0.495591 0.871797 Si\n0.125000 0.125000 0.125000 Si\n0.762719 0.762718 0.762718 Si\n0.237282 0.237282 0.788154 Si\n0.788154 0.237282 0.237282 Si\n0.237282 0.788154 0.237282 Si\n0.211846 0.762718 0.762718 Si\n0.504410 0.739186 0.128203 Si\n0.762718 0.211846 0.762718 Si\n0.237282 0.237282 0.237282 Si\n0.128203 0.128203 0.739186 Si\n0.871797 0.260814 0.495591 Si\n0.495591 0.871797 0.871797 Si\n0.871797 0.495591 0.871797 Si\n0.260815 0.871797 0.495591 Si\n0.762719 0.762718 0.211846 Si\n0.128203 0.128203 0.504409 Si\n",
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{
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}