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{
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"structure_string": "U12 O32\n1.0\n6.978941 0.000000 -0.058116\n0.000000 8.320537 0.000000\n0.096910 0.000000 11.630198\nU O\n12 32\ndirect\n0.498727 0.250000 0.180958 U\n0.503960 0.250000 0.499999 U\n0.001272 0.750000 0.319041 U\n0.496040 0.750000 0.500001 U\n0.501275 0.750000 0.180963 U\n-0.001272 0.250000 0.680959 U\n0.498725 0.250000 0.819036 U\n-0.001275 0.250000 0.319039 U\n0.501273 0.750000 0.819042 U\n0.001275 0.750000 0.680961 U\n0.003965 0.250000 -0.000001 U\n0.996035 0.750000 0.000001 U\n0.308931 0.250000 0.358179 O\n0.808928 0.250000 0.858185 O\n0.320454 0.750000 0.346944 O\n-0.000014 -0.000014 0.315300 O\n0.500010 0.499988 0.184701 O\n0.975845 0.250000 0.499988 O\n0.320458 0.750000 0.653054 O\n0.179548 0.250000 0.153054 O\n0.000000 0.000000 0.000000 O\n0.820458 0.750000 0.153059 O\n0.500010 0.000013 0.184701 O\n-0.000014 0.500014 0.315300 O\n0.500000 0.000000 0.500000 O\n0.679542 0.250000 0.346946 O\n0.475844 0.250000 -0.000010 O\n0.308938 0.250000 0.641818 O\n0.000014 0.499986 0.684700 O\n0.691062 0.750000 0.358182 O\n0.499989 -0.000013 0.815299 O\n0.191055 0.750000 0.858180 O\n0.808945 0.250000 0.141820 O\n0.191072 0.750000 0.141815 O\n0.499989 0.500013 0.815299 O\n0.179542 0.250000 0.846941 O\n0.820452 0.750000 0.846946 O\n0.024155 0.750000 0.500012 O\n0.679546 0.250000 0.653056 O\n0.500000 0.500000 0.500000 O\n0.524156 0.750000 0.000009 O\n0.000014 0.000014 0.684700 O\n0.691069 0.750000 0.641820 O\n0.000000 0.500000 0.000000 O\n",
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{
"id": "jvasp-98746",
"created_at": "2022-09-04T14:36:14.257866Z",
"updated_at": "2022-09-04T14:36:14.257885Z",
"structure_string": "Ho4 B28 Mo12\n1.0\n3.098765 -0.000000 0.000000\n-0.000000 11.025176 0.000000\n0.000000 0.000000 12.906663\nHo B Mo\n4 28 12\ndirect\n0.750001 0.949629 0.308291 Ho\n0.250000 0.050372 0.691709 Ho\n0.750001 0.449629 0.191709 Ho\n0.250000 0.550372 0.808291 Ho\n0.250000 0.314760 0.067191 B\n0.750001 0.185240 0.567191 B\n0.250000 0.814761 0.432809 B\n0.750001 0.567945 0.383921 B\n0.250000 0.432055 0.616079 B\n0.750001 0.067945 0.116079 B\n0.250000 0.932055 0.883921 B\n0.750001 0.537394 0.981655 B\n0.750001 0.037393 0.518345 B\n0.750001 0.685240 0.932808 B\n0.250000 0.962607 0.481655 B\n0.750001 0.751127 0.173580 B\n0.250000 0.248873 0.826420 B\n0.750001 0.251127 0.326420 B\n0.250000 0.748873 0.673580 B\n0.750001 0.731145 0.418266 B\n0.250000 0.268855 0.581734 B\n0.250000 0.462607 0.018345 B\n0.250000 0.835232 0.167623 B\n0.250000 0.335232 0.332376 B\n0.750001 0.231145 0.081734 B\n0.750001 0.164768 0.832376 B\n0.750001 0.510016 0.638319 B\n0.250000 0.489985 0.361681 B\n0.250000 0.768855 0.918266 B\n0.250000 0.989985 0.138319 B\n0.750001 0.664768 0.667623 B\n0.750001 0.010016 0.861681 B\n0.250000 0.617543 0.526955 Mo\n0.750001 0.382458 0.473045 Mo\n0.250000 0.117543 0.973045 Mo\n0.250000 0.660021 0.064834 Mo\n0.750001 0.339979 0.935166 Mo\n0.250000 0.160021 0.435166 Mo\n0.750001 0.839979 0.564834 Mo\n0.250000 0.685142 0.297527 Mo\n0.750001 0.314858 0.702473 Mo\n0.250000 0.185142 0.202473 Mo\n0.750001 0.814858 0.797527 Mo\n0.750001 0.882458 0.026955 Mo\n",
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"B",
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"density": 7.959874271260049,
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"spacegroup": 62
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{
"id": "jvasp-96979",
"created_at": "2022-09-04T14:36:37.958694Z",
"updated_at": "2022-09-04T14:36:37.958713Z",
"structure_string": "K8 Mn4 S4 O16 F12\n1.0\n7.208225 -0.177898 0.000000\n-0.203029 8.448589 0.000000\n0.000000 0.000000 10.762301\nK Mn S O F\n8 4 4 16 12\ndirect\n0.810539 0.172690 0.691444 K\n0.302041 0.822996 0.691640 K\n0.697958 0.177004 0.308360 K\n0.697958 0.677004 0.191640 K\n0.189460 0.327310 0.191444 K\n0.189460 0.827310 0.308555 K\n0.302041 0.322996 0.808360 K\n0.810539 0.672690 0.808555 K\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250366 0.683404 0.001522 S\n0.749633 0.816596 0.501522 S\n0.749633 0.316596 0.998478 S\n0.250366 0.183404 0.498478 S\n0.167100 0.089908 0.600226 O\n0.891610 0.221357 0.935718 O\n0.832899 0.410091 0.100226 O\n0.832899 0.910092 0.399774 O\n0.167100 0.589908 0.899774 O\n0.108390 0.778643 0.064282 O\n0.346001 0.090100 0.406280 O\n0.653998 0.409900 0.906280 O\n0.653998 0.909900 0.593720 O\n0.346001 0.590100 0.093720 O\n0.392462 0.300390 0.560552 O\n0.607537 0.199610 0.060552 O\n0.108390 0.278643 0.435718 O\n0.891610 0.721357 0.564282 O\n0.607537 0.699610 0.439448 O\n0.392462 0.800390 0.939448 O\n0.971707 0.553074 0.334764 F\n0.523228 0.562901 0.664427 F\n0.476771 0.437099 0.335573 F\n0.523228 0.062901 0.835573 F\n0.476771 0.937099 0.164427 F\n0.762066 0.387579 0.502237 F\n0.237933 0.112421 0.002237 F\n0.762066 0.887579 -0.002237 F\n0.028292 0.446925 0.665236 F\n0.971707 0.053074 0.165236 F\n0.028292 0.946926 0.834764 F\n0.237933 0.612421 0.497763 F\n",
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"formula_full": "K8 Mn4 S4 O16 F12",
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},
{
"id": "jvasp-33593",
"created_at": "2022-09-04T14:38:05.308941Z",
"updated_at": "2022-09-04T14:38:05.308951Z",
"structure_string": "Mo2 Pd2 H24 N8 O8\n1.0\n-3.732566 3.732770 7.773051\n3.732566 -3.732273 7.772812\n3.732566 3.732273 -7.772812\nMo Pd H N O\n2 2 24 8 8\ndirect\n0.875001 0.124999 0.750002 Mo\n0.124999 0.875002 0.249998 Mo\n0.375000 0.625001 0.750000 Pd\n0.625000 0.374999 0.250000 Pd\n0.014126 0.708348 0.528781 H\n0.679568 0.708347 0.194224 H\n0.708347 0.014119 0.028777 H\n0.485347 0.014122 0.805778 H\n0.679568 0.485345 0.971221 H\n0.708347 0.679569 0.694227 H\n0.485347 0.679569 0.471224 H\n0.985874 0.291653 0.471220 H\n0.320432 0.291653 0.805777 H\n0.291653 0.985881 0.971223 H\n0.014126 0.485346 0.305779 H\n0.985874 0.514655 0.694221 H\n0.514653 0.985878 0.194223 H\n0.309483 0.249644 0.440166 H\n0.249646 0.309480 0.940168 H\n0.869317 0.309478 0.559838 H\n0.309483 0.869317 0.059841 H\n0.750354 0.690521 0.059832 H\n0.690517 0.750357 0.559835 H\n0.130683 0.690522 0.440162 H\n0.690517 0.130683 0.940160 H\n0.514653 0.320431 0.528776 H\n0.291653 0.320432 0.305774 H\n0.320432 0.514656 0.028780 H\n0.651535 0.625605 0.025932 N\n0.099671 0.625604 0.474068 N\n0.625602 0.099669 0.974065 N\n0.625602 0.651536 0.525933 N\n0.348465 0.374396 0.974069 N\n0.900329 0.374397 0.525932 N\n0.374398 0.348464 0.474067 N\n0.374398 0.900331 0.025936 N\n0.255362 0.809496 0.445868 O\n0.190503 0.136368 0.445862 O\n0.136360 0.190503 0.945858 O\n0.744638 0.190505 0.554133 O\n0.190504 0.744642 0.054136 O\n0.809496 0.863632 0.554139 O\n0.863640 0.809498 0.054143 O\n0.809496 0.255359 0.945864 O\n",
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"elements": [
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"density": 2.5644497117969025,
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"volume_molar": 5.9286098467786426,
"formula_full": "Mo2 Pd2 H24 N8 O8",
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{
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"created_at": "2022-09-04T14:36:14.398992Z",
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"structure_string": "Sb4 S4 Br12 F24\n1.0\n8.038151 0.000000 0.000000\n0.000000 9.036977 0.000000\n0.000000 0.000000 12.546583\nSb S Br F\n4 4 12 24\ndirect\n0.313699 0.965518 0.185355 Sb\n0.686301 0.465518 0.314645 Sb\n0.186301 0.034483 0.685355 Sb\n0.813699 0.534483 0.814645 Sb\n0.644629 0.024956 0.476025 S\n0.355371 0.524956 0.023975 S\n0.144629 0.475045 0.523975 S\n0.855371 0.975045 0.976024 S\n0.208996 0.315360 0.399089 Br\n0.708996 0.184640 0.600910 Br\n0.640395 0.813041 0.562250 Br\n0.791004 0.815360 0.100910 Br\n0.133188 0.503558 0.127549 Br\n0.859605 0.186960 0.062250 Br\n0.866812 0.003558 0.372451 Br\n0.633188 0.996443 0.872451 Br\n0.140395 0.686960 0.437750 Br\n0.366812 0.496442 0.627549 Br\n0.291004 0.684640 0.899089 Br\n0.359605 0.313041 0.937750 Br\n0.220216 0.155345 0.222906 F\n0.302230 0.027851 0.551325 F\n0.900720 0.726375 0.850937 F\n0.400720 0.773626 0.149063 F\n0.619663 0.625178 0.750470 F\n0.802230 0.472149 0.448674 F\n0.002009 0.437720 0.875965 F\n0.697770 0.527851 0.948674 F\n0.497991 0.562280 0.375965 F\n0.119663 0.874822 0.249530 F\n0.921748 0.548090 0.678793 F\n0.720216 0.344655 0.777094 F\n0.880337 0.374822 0.250470 F\n0.197770 0.972150 0.051326 F\n0.779783 0.655345 0.277094 F\n0.421748 0.951911 0.321207 F\n0.279784 0.844655 0.722906 F\n0.099280 0.226375 0.649062 F\n0.599280 0.273625 0.350937 F\n0.380337 0.125178 0.749530 F\n0.078252 0.048089 0.821207 F\n0.578251 0.451911 0.178793 F\n-0.002009 0.937720 0.624035 F\n0.502009 0.062280 0.124035 F\n",
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"density_atomic": 0.04827784490806591,
"volume": 911.3911377731943,
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"formula_full": "Sb4 S4 Br12 F24",
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{
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"created_at": "2022-09-04T14:38:37.414548Z",
"updated_at": "2022-09-04T14:38:37.414580Z",
"structure_string": "Zn4 Sn12 O28\n1.0\n5.233426 0.000000 -0.000000\n0.000000 10.291181 0.000000\n0.000000 0.000000 10.253908\nZn Sn O\n4 12 28\ndirect\n0.662281 0.750000 0.869587 Zn\n0.162280 0.250000 0.630413 Zn\n0.337720 0.250000 0.130413 Zn\n0.837720 0.750000 0.369587 Zn\n0.640838 0.015294 0.640336 Sn\n0.359163 0.515294 0.359664 Sn\n0.859163 0.484706 0.140336 Sn\n0.176388 0.750000 0.644233 Sn\n0.676388 0.250000 0.855767 Sn\n0.140838 0.984706 0.859664 Sn\n0.323613 0.750000 0.144233 Sn\n0.140838 0.515294 0.859664 Sn\n0.640838 0.484706 0.640336 Sn\n0.859163 0.015294 0.140336 Sn\n0.359163 0.984706 0.359664 Sn\n0.823613 0.250000 0.355767 Sn\n0.919370 0.620750 0.717271 O\n0.204693 0.750000 0.454822 O\n0.704693 0.250000 0.045178 O\n0.795308 0.250000 0.545178 O\n0.295308 0.750000 0.954822 O\n0.816129 0.917091 0.966940 O\n0.683872 0.582908 0.466940 O\n0.316128 0.082908 0.533060 O\n0.816129 0.582908 0.966940 O\n0.316128 0.417092 0.533060 O\n0.419369 0.379250 0.782729 O\n0.183872 0.417092 0.033060 O\n0.080631 0.120750 0.282729 O\n0.585574 0.121253 0.257903 O\n0.080631 0.379250 0.282729 O\n0.580631 0.620750 0.217271 O\n0.919370 0.879250 0.717271 O\n0.419369 0.120750 0.782729 O\n0.414427 0.621253 0.742097 O\n0.914427 0.378747 0.757903 O\n0.183872 0.082908 0.033060 O\n0.085574 0.878747 0.242097 O\n0.585574 0.378747 0.257903 O\n0.085574 0.621253 0.242097 O\n0.414427 0.878747 0.742097 O\n0.914427 0.121253 0.757903 O\n0.580631 0.879250 0.217271 O\n0.683872 0.917091 0.466940 O\n",
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"formula_full": "Zn4 Sn12 O28",
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{
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