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{
"id": "jvasp-91407",
"created_at": "2022-09-04T14:35:56.841580Z",
"updated_at": "2022-09-04T14:35:56.841604Z",
"structure_string": "Rb8 Sn8 S32\n1.0\n9.397287 0.000000 -2.878212\n0.000000 10.138545 0.000000\n-0.117193 0.000000 14.308868\nRb Sn S\n8 8 32\ndirect\n0.532076 0.225278 0.912535 Rb\n0.967925 0.725278 0.587465 Rb\n0.467925 0.774721 0.087465 Rb\n0.032075 0.274722 0.412535 Rb\n0.851034 0.132946 0.704769 Rb\n0.648967 0.632946 0.795231 Rb\n0.148966 0.867053 0.295231 Rb\n0.351034 0.367054 0.204769 Rb\n0.025679 0.173810 0.015007 Sn\n0.406695 -0.000004 0.596938 Sn\n0.906695 0.500003 0.096938 Sn\n0.593305 0.000004 0.403063 Sn\n0.525679 0.326189 0.515007 Sn\n0.974322 0.826189 0.984993 Sn\n0.474321 0.673810 0.484993 Sn\n0.093305 0.499996 0.903063 Sn\n0.490131 0.769013 0.332487 S\n0.990131 0.730986 0.832487 S\n0.509870 0.230987 0.667514 S\n0.687360 0.142712 0.190214 S\n0.812640 0.642711 0.309786 S\n0.312640 0.857288 0.809786 S\n0.306082 0.657220 0.769596 S\n0.693918 0.342780 0.230405 S\n0.806082 0.842779 0.269596 S\n0.193918 0.157220 0.730405 S\n0.646341 0.446246 0.100978 S\n0.853660 0.946245 0.399023 S\n0.009869 0.269013 0.167514 S\n0.187360 0.357288 0.690214 S\n0.007836 0.432851 0.715600 S\n0.329482 0.462878 0.419068 S\n0.992164 0.567149 0.284401 S\n0.507836 0.067149 0.215600 S\n0.140563 0.602483 0.076683 S\n0.359437 0.102483 0.423317 S\n0.859437 0.397516 0.923317 S\n0.640564 0.897516 0.576683 S\n0.353660 0.553754 0.899023 S\n0.170518 0.962878 0.080933 S\n0.670518 0.537121 0.580933 S\n0.829483 0.037121 0.919068 S\n0.714346 0.225868 0.460664 S\n0.785654 0.725868 0.039337 S\n0.285654 0.774132 0.539337 S\n0.214346 0.274132 0.960664 S\n0.492164 0.932851 0.784401 S\n0.146341 0.053754 0.600978 S\n",
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"volume": 1359.8549869099772,
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"formula_full": "Rb8 Sn8 S32",
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{
"id": "jvasp-98570",
"created_at": "2022-09-04T14:36:01.468602Z",
"updated_at": "2022-09-04T14:36:01.468633Z",
"structure_string": "Sb4 Xe4 O4 F36\n1.0\n8.539581 -0.040166 -0.369741\n-2.599516 8.780000 -3.334725\n0.016140 -0.068660 10.055199\nSb Xe O F\n4 4 4 36\ndirect\n0.925504 0.747057 0.251630 Sb\n0.433577 0.775896 0.585864 Sb\n0.074496 0.252943 0.748370 Sb\n0.566422 0.224103 0.414136 Sb\n0.560832 0.228757 0.878765 Xe\n0.925846 0.795198 0.723374 Xe\n0.439167 0.771243 0.121234 Xe\n0.074153 0.204802 0.276625 Xe\n0.102766 0.884668 0.864669 O\n0.266480 0.786834 0.019821 O\n0.733519 0.213165 0.980178 O\n0.897233 0.115332 0.135330 O\n0.746781 0.139784 0.401565 F\n0.685879 0.427771 0.865870 F\n0.869166 0.531052 0.166841 F\n0.778942 0.650169 0.795025 F\n0.064407 0.228475 0.927369 F\n0.412841 0.748371 0.762665 F\n0.253218 0.860216 0.598435 F\n0.587158 0.251629 0.237335 F\n0.695050 0.741635 0.235200 F\n0.479098 0.368515 0.039770 F\n0.221057 0.349831 0.204975 F\n0.153740 0.770733 0.285201 F\n0.363252 0.281209 0.421688 F\n0.314120 0.572228 0.134130 F\n0.023442 0.028557 0.656121 F\n0.846259 0.229266 0.714798 F\n0.691247 0.427760 0.521946 F\n0.976558 0.971442 0.343879 F\n0.522735 0.185728 0.585654 F\n0.426385 0.013292 0.306793 F\n0.520901 0.631485 0.960230 F\n0.304949 0.258364 0.764800 F\n0.130833 0.468948 0.833159 F\n0.935592 0.771524 0.072630 F\n0.009887 0.615236 0.629051 F\n0.096510 0.260765 0.561441 F\n0.477264 0.814271 0.414345 F\n0.806992 0.939145 0.839807 F\n0.193007 0.060854 0.160192 F\n0.606089 0.932995 0.078882 F\n0.636748 0.718790 0.578312 F\n0.308752 0.572240 0.478053 F\n-0.009887 0.384764 0.370949 F\n0.393910 0.067005 0.921118 F\n0.903490 0.739235 0.438558 F\n0.573614 0.986708 0.693207 F\n",
"nsites": 48,
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],
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},
{
"id": "jvasp-98439",
"created_at": "2022-09-04T14:35:47.797256Z",
"updated_at": "2022-09-04T14:35:47.797288Z",
"structure_string": "Cd4 H16 S8 O20\n1.0\n5.517400 0.000000 -1.127211\n0.000000 7.148273 0.000000\n-0.074108 0.000000 14.134374\nCd H S O\n4 16 8 20\ndirect\n0.445463 0.169406 0.818086 Cd\n0.945463 0.330593 0.318086 Cd\n0.554536 0.830593 0.181914 Cd\n0.054536 0.669406 0.681913 Cd\n0.465338 0.635311 0.582634 H\n0.965338 0.864689 0.082634 H\n0.534661 0.364689 0.417366 H\n0.034661 0.135311 0.917366 H\n0.700920 0.858879 0.536468 H\n0.200920 0.641121 0.036469 H\n0.299079 0.141121 0.463531 H\n0.799079 0.358879 0.963531 H\n0.221968 0.624853 0.505090 H\n0.721968 0.875147 0.005090 H\n0.778031 0.375147 0.494910 H\n0.278031 0.124853 0.994909 H\n0.728974 0.661671 0.483398 H\n0.228973 0.838328 0.983398 H\n0.271026 0.338328 0.516602 H\n0.771026 0.161671 0.016602 H\n0.855498 0.177508 0.658987 S\n0.355499 0.322492 0.158987 S\n0.144501 0.822491 0.341013 S\n0.644501 0.677508 0.841013 S\n0.177722 0.026605 0.664562 S\n0.677723 0.473394 0.164562 S\n0.822277 0.973394 0.335438 S\n0.322277 0.526605 0.835438 S\n0.702390 0.415482 0.428193 O\n0.202390 0.084518 0.928193 O\n0.738806 0.724372 0.546258 O\n0.238806 0.775628 0.046258 O\n0.261193 0.275628 0.453742 O\n0.761193 0.224372 0.953742 O\n0.903690 0.363824 0.619588 O\n0.403690 0.136176 0.119588 O\n0.096310 0.636176 0.380412 O\n0.596310 0.863823 0.880411 O\n0.810108 0.195777 0.757854 O\n0.310108 0.304223 0.257854 O\n0.189892 0.804223 0.242146 O\n0.689892 0.695777 0.742146 O\n0.664384 0.079331 0.591559 O\n0.164385 0.420669 0.091559 O\n0.335615 0.920669 0.408440 O\n0.835615 0.579330 0.908440 O\n0.797610 0.915482 0.071807 O\n0.297610 0.584518 0.571806 O\n",
"nsites": 48,
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"elements": [
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"S",
"O"
],
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"density_atomic": 0.08619746848286572,
"volume": 556.8609014259092,
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"formula_full": "Cd4 H16 S8 O20",
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"formula_anonymous": "AB2C4D5",
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},
{
"id": "jvasp-31138",
"created_at": "2022-09-04T14:38:33.229497Z",
"updated_at": "2022-09-04T14:38:33.229516Z",
"structure_string": "Hf23 Se25\n1.0\n7.927425 -0.005297 -0.002207\n-1.680129 7.837146 0.003852\n-0.060358 -2.297777 15.657755\nHf Se\n23 25\ndirect\n0.282797 0.931763 0.919989 Hf\n0.611005 0.528774 0.044085 Hf\n0.922124 0.130062 0.161247 Hf\n0.371236 0.337535 0.201369 Hf\n0.046611 0.732364 0.077544 Hf\n0.488460 0.933957 0.119622 Hf\n0.124713 0.133243 0.356314 Hf\n0.247219 0.734732 0.278696 Hf\n0.570389 0.334745 0.402051 Hf\n0.331403 0.129639 0.562981 Hf\n0.003572 0.532012 0.439805 Hf\n0.806661 0.534982 0.238352 Hf\n0.765935 0.333551 0.598640 Hf\n0.692530 0.937878 0.317073 Hf\n0.093940 0.941612 0.721581 Hf\n0.405785 0.534098 0.836602 Hf\n0.718481 0.128773 0.964714 Hf\n0.640429 0.730480 0.680520 Hf\n0.849704 0.733990 0.881158 Hf\n0.206930 0.533579 0.640001 Hf\n0.522009 0.132083 0.758415 Hf\n0.438463 0.729298 0.484562 Hf\n0.972336 0.336889 0.794712 Hf\n0.606943 0.000446 0.599405 Se\n0.887483 0.399644 0.078995 Se\n0.317935 0.599303 0.118709 Se\n0.639255 0.202694 0.240854 Se\n0.401175 0.998836 0.400756 Se\n0.081129 0.400910 0.278501 Se\n0.761202 0.798824 0.159154 Se\n0.521915 0.605639 0.322862 Se\n0.841193 0.196851 0.441489 Se\n0.277435 0.393148 0.479537 Se\n0.960863 0.799360 0.361465 Se\n0.557782 0.792413 0.959919 Se\n0.036903 0.197401 0.636661 Se\n0.801222 0.003234 0.800869 Se\n0.480519 0.398973 0.679287 Se\n0.151763 0.799463 0.559355 Se\n0.240297 0.202527 0.843768 Se\n0.919087 0.606176 0.719189 Se\n0.001316 0.003165 0.999725 Se\n0.681333 0.397774 0.880807 Se\n0.358874 0.801071 0.760398 Se\n0.120439 0.596462 0.920536 Se\n0.200790 0.002768 0.198122 Se\n0.722160 0.604479 0.520116 Se\n0.431574 0.199044 0.039470 Se\n",
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},
{
"id": "jvasp-31824",
"created_at": "2022-09-04T14:38:39.562760Z",
"updated_at": "2022-09-04T14:38:39.562774Z",
"structure_string": "Au8 F40\n1.0\n4.802626 0.000000 0.000000\n0.000000 9.229793 0.000000\n0.000000 0.000000 14.953358\nAu F\n8 40\ndirect\n0.073356 0.130754 0.356651 Au\n0.073356 0.130754 0.143349 Au\n0.573356 0.369245 0.856651 Au\n0.426645 0.630754 0.356651 Au\n0.573356 0.369245 0.643350 Au\n0.926645 0.869245 0.856651 Au\n0.426645 0.630754 0.143349 Au\n0.926645 0.869245 0.643350 Au\n0.260525 0.500843 0.644766 F\n0.739476 0.499157 0.144766 F\n0.239475 0.000843 0.855235 F\n0.239475 0.000843 0.644766 F\n0.739476 0.499157 0.355235 F\n0.260525 0.500843 0.855235 F\n0.760525 0.999157 0.144766 F\n0.905235 0.243930 0.447700 F\n0.594766 0.743930 0.052301 F\n0.760525 0.999157 0.355235 F\n0.094765 0.756070 0.552301 F\n0.594766 0.743930 0.447700 F\n0.405235 0.256070 0.947700 F\n0.905235 0.243930 0.052301 F\n0.405235 0.256070 0.552301 F\n0.094765 0.756070 0.947700 F\n0.252161 0.024010 0.051271 F\n0.742360 0.480043 0.750000 F\n0.752162 0.475990 0.948729 F\n0.247839 0.524010 0.448729 F\n0.747840 0.975990 0.551271 F\n0.747840 0.975990 0.948729 F\n0.247839 0.524010 0.051271 F\n0.752162 0.475990 0.551271 F\n0.252161 0.024010 0.448729 F\n0.383791 0.263551 0.351676 F\n0.883791 0.236448 0.648324 F\n0.257640 0.519956 0.250000 F\n0.116209 0.763551 0.148324 F\n0.616210 0.736448 0.648324 F\n0.116209 0.763551 0.351676 F\n0.883791 0.236448 0.851676 F\n0.383791 0.263551 0.148324 F\n0.897920 0.238575 0.250000 F\n0.397920 0.261425 0.750000 F\n0.602081 0.738575 0.250000 F\n0.102081 0.761425 0.750000 F\n0.242360 0.019956 0.250000 F\n0.616210 0.736448 0.851676 F\n0.757641 0.980043 0.750000 F\n",
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},
{
"id": "jvasp-21766",
"created_at": "2022-09-04T14:37:51.318217Z",
"updated_at": "2022-09-04T14:37:51.318249Z",
"structure_string": "Sn4 Te12 O32\n1.0\n9.125615 -0.000000 -3.226392\n-4.562807 7.903014 -3.226392\n-0.000000 -0.000000 9.679176\nSn Te O\n4 12 32\ndirect\n0.499999 0.500000 -0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n-0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.962951 0.712951 0.250000 Te\n0.749999 0.537048 0.787049 Te\n0.750000 0.037049 0.287049 Te\n0.249999 0.962951 0.712952 Te\n0.462951 0.212951 0.250000 Te\n0.287048 0.750000 0.037048 Te\n0.037048 0.287048 0.750000 Te\n0.250000 0.462951 0.212951 Te\n0.712951 0.250000 0.962952 Te\n0.537048 0.787048 0.750000 Te\n0.212951 0.250000 0.462952 Te\n0.787048 0.750000 0.537049 Te\n0.823147 0.564270 0.529165 O\n0.464893 0.706016 0.029164 O\n0.793983 0.258877 0.323148 O\n0.035106 0.064271 0.241123 O\n0.470835 0.176852 0.435729 O\n0.970835 0.535106 0.293984 O\n0.741122 0.676852 0.206016 O\n0.758876 0.964893 0.935730 O\n0.836589 0.500000 -0.000000 O\n0.676851 0.206016 0.741123 O\n0.500000 0.000000 0.836590 O\n-0.000000 0.836589 0.500000 O\n0.663410 0.663410 0.663411 O\n0.163410 0.500000 -0.000000 O\n0.500000 0.000000 0.163411 O\n-0.000000 0.163411 0.500000 O\n0.336589 0.336589 0.336589 O\n0.029164 0.464894 0.706017 O\n0.258877 0.323148 0.793984 O\n0.293983 0.970835 0.535106 O\n0.241122 0.035106 0.064271 O\n0.435729 0.470835 0.176852 O\n0.706016 0.029165 0.464894 O\n0.323147 0.793983 0.258877 O\n0.064270 0.241122 0.035106 O\n0.529164 0.823148 0.564271 O\n0.964893 0.935729 0.758878 O\n0.206016 0.741122 0.676852 O\n0.535106 0.293983 0.970836 O\n0.935728 0.758877 0.964894 O\n0.176852 0.435729 0.470836 O\n0.564270 0.529164 0.823148 O\n",
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"formula_full": "Sn4 Te12 O32",
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},
{
"id": "jvasp-97809",
"created_at": "2022-09-04T14:37:41.312200Z",
"updated_at": "2022-09-04T14:37:41.312211Z",
"structure_string": "Zn6 B14 Cl2 O26\n1.0\n7.441320 -0.004019 4.310332\n2.482598 7.014981 4.310332\n-0.005689 -0.004019 8.599545\nZn B Cl O\n6 14 2 26\ndirect\n0.471649 0.472979 0.034311 Zn\n0.472980 0.034311 0.471648 Zn\n0.972980 0.971648 0.534310 Zn\n0.534311 0.972979 0.971648 Zn\n0.971649 0.534311 0.972979 Zn\n0.034311 0.471648 0.472979 Zn\n0.747423 0.747827 0.253869 B\n0.747828 0.253869 0.747422 B\n0.253870 0.747423 0.747827 B\n0.753870 0.247827 0.247423 B\n0.573519 0.573586 0.267179 B\n0.247423 0.753869 0.247827 B\n0.073519 0.767179 0.073586 B\n0.073586 0.073519 0.767179 B\n0.602627 0.602626 0.602626 B\n0.102627 0.102627 0.102627 B\n0.573586 0.267179 0.573519 B\n0.267179 0.573519 0.573586 B\n0.247828 0.247423 0.753869 B\n0.767179 0.073586 0.073519 B\n0.266525 0.266525 0.266525 Cl\n0.766525 0.766525 0.766524 Cl\n0.935745 0.701382 0.254445 O\n0.435745 0.754445 0.201382 O\n0.201382 0.435745 0.754445 O\n0.191170 0.610367 0.434500 O\n0.110367 0.691169 0.934500 O\n0.934500 0.110367 0.691169 O\n0.691170 0.934500 0.110367 O\n0.754445 0.201382 0.435744 O\n0.701382 0.254445 0.935744 O\n0.445087 0.605382 0.765306 O\n0.605382 0.765306 0.445087 O\n0.765306 0.445087 0.605381 O\n0.265306 0.105382 0.945087 O\n0.105382 0.945087 0.265306 O\n0.945087 0.265306 0.105381 O\n0.989032 0.989031 0.989030 O\n0.750834 0.598679 0.214575 O\n0.598679 0.214576 0.750834 O\n0.214576 0.750834 0.598678 O\n0.098679 0.250834 0.714575 O\n0.250834 0.714576 0.098679 O\n0.714576 0.098679 0.250834 O\n0.610367 0.434500 0.191169 O\n0.434500 0.191169 0.610367 O\n0.254445 0.935745 0.701382 O\n0.489031 0.489031 0.489031 O\n",
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