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"results": [
{
"id": "jvasp-30792",
"created_at": "2022-09-04T14:38:39.040568Z",
"updated_at": "2022-09-04T14:38:39.040581Z",
"structure_string": "Bi8 O16\n1.0\n6.303512 0.612026 -2.361428\n0.293490 6.081649 2.354547\n-3.517279 2.296972 12.588674\nBi O\n8 16\ndirect\n0.415909 0.972164 0.387473 Bi\n0.584102 0.527862 0.112527 Bi\n0.583851 0.247254 0.612500 Bi\n0.416128 0.252781 0.887490 Bi\n-0.030541 0.638338 0.467887 Bi\n0.030528 -0.138347 0.032104 Bi\n0.030363 0.074080 0.532134 Bi\n-0.030353 0.425895 -0.032122 Bi\n0.279189 0.913425 -0.022422 O\n0.246713 0.663029 0.438351 O\n0.246976 0.460123 -0.061575 O\n0.278925 0.131397 0.477559 O\n0.753250 -0.163004 0.061622 O\n0.720821 0.586569 0.522434 O\n0.217466 0.015927 0.156827 O\n-0.232263 0.270965 0.843180 O\n-0.217325 0.829552 0.843131 O\n0.217364 0.670427 0.656873 O\n0.753065 0.039854 0.561606 O\n0.232272 0.229037 0.656807 O\n0.232429 0.457486 0.156803 O\n0.767558 0.042509 0.343204 O\n0.782508 0.484042 0.343182 O\n0.721057 0.368640 0.022427 O\n",
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{
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"structure_string": "B20 H44\n1.0\n6.702019 0.000000 -0.493554\n0.000000 8.235009 0.000000\n-0.001210 0.000000 9.918956\nB H\n20 44\ndirect\n0.296426 0.107429 0.314638 B\n0.376858 0.279689 0.882566 B\n0.123142 0.779689 0.617434 B\n0.623142 0.720311 0.117434 B\n0.379339 0.335278 0.704877 B\n0.120661 0.835278 0.795124 B\n0.620661 0.664722 0.295124 B\n0.879339 0.164722 0.204877 B\n0.526677 0.451359 0.820021 B\n0.876858 0.220311 0.382566 B\n0.473324 0.548642 0.179980 B\n0.973324 0.951359 0.679981 B\n0.703574 0.892571 0.685363 B\n0.796426 0.392571 0.814639 B\n0.128237 0.108910 0.172989 B\n0.203574 0.607430 0.185362 B\n0.371763 0.608910 0.327012 B\n0.871763 0.891090 0.827012 B\n0.628237 0.391090 0.672989 B\n0.026676 0.048642 0.320020 B\n0.225451 0.323397 0.927539 H\n0.542004 0.838913 0.067488 H\n0.957996 0.338913 0.432513 H\n0.243852 0.389029 0.634453 H\n0.256149 0.889029 0.865548 H\n0.756149 0.610971 0.365548 H\n0.743852 0.110971 0.134453 H\n0.478653 0.588879 0.838368 H\n0.021347 0.088879 0.661633 H\n0.521347 0.411121 0.161633 H\n0.978653 0.911121 0.338368 H\n0.042004 0.661088 0.567488 H\n0.552451 0.369091 0.927398 H\n0.357204 0.516428 0.417766 H\n0.947550 0.869092 0.572603 H\n0.447550 0.630909 0.072603 H\n0.052450 0.130909 0.427398 H\n0.328547 0.202030 0.759727 H\n0.171453 0.702030 0.740274 H\n0.671453 0.797970 0.240274 H\n0.828547 0.297970 0.259727 H\n0.508936 0.264545 0.628634 H\n0.991065 0.764545 0.871367 H\n0.491064 0.735455 0.371367 H\n0.008936 0.235455 0.128634 H\n0.789233 0.304418 0.696456 H\n0.710768 0.804418 0.803545 H\n0.857204 0.983572 0.917766 H\n0.210767 0.695582 0.303545 H\n0.289233 0.195582 0.196456 H\n0.274549 0.823397 0.572462 H\n0.774549 0.676603 0.072462 H\n0.725451 0.176603 0.427539 H\n0.419312 0.003751 0.303866 H\n0.080688 0.503751 0.196135 H\n0.580688 -0.003751 0.696135 H\n0.919313 0.496250 0.803866 H\n0.334749 0.214688 0.393843 H\n0.165251 0.714688 0.106157 H\n0.665251 0.785312 0.606158 H\n0.834749 0.285312 0.893844 H\n0.142796 0.016428 0.082235 H\n0.457996 0.161088 0.932513 H\n0.642796 0.483572 0.582235 H\n",
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{
"id": "jvasp-29264",
"created_at": "2022-09-04T14:38:39.401103Z",
"updated_at": "2022-09-04T14:38:39.401118Z",
"structure_string": "Sb4 Au6 F36\n1.0\n8.460529 0.000000 0.000000\n0.000000 8.259093 -3.862505\n0.000000 -0.009317 9.696196\nSb Au F\n4 6 36\ndirect\n0.124647 0.139978 0.276439 Sb\n0.624647 0.360022 0.223561 Sb\n0.875353 0.860021 0.723560 Sb\n0.375353 0.639978 0.776439 Sb\n0.668458 0.797810 0.130567 Au\n0.168458 0.702189 0.369432 Au\n0.000000 0.500000 -0.000000 Au\n0.831542 0.297810 0.630568 Au\n0.331542 0.202189 0.869433 Au\n0.500000 -0.000000 0.500000 Au\n0.472288 0.335095 0.046964 F\n0.972288 0.164904 0.453036 F\n0.229136 0.605642 0.617243 F\n0.729136 0.894357 0.882757 F\n0.770864 0.394357 0.382757 F\n0.368873 0.417873 0.744738 F\n0.868873 0.082126 0.755262 F\n0.631127 0.582126 0.255262 F\n0.027712 0.835095 0.546964 F\n0.216414 0.681762 0.928992 F\n0.716414 0.818237 0.571007 F\n0.270864 0.105642 0.117243 F\n0.131127 0.917873 0.244738 F\n0.941293 0.094547 0.153101 F\n0.283586 0.181762 0.428992 F\n0.441293 0.405452 0.346899 F\n0.058707 0.905452 0.846898 F\n0.558707 0.594547 0.653101 F\n0.101019 0.365637 0.333784 F\n0.601019 0.134363 0.166216 F\n0.791510 0.908984 0.310653 F\n0.291510 0.591015 0.189346 F\n0.208490 0.091015 0.689346 F\n0.708490 0.408984 0.810654 F\n0.478863 0.895958 0.256586 F\n0.978863 0.604041 0.243414 F\n0.521137 0.104041 0.743414 F\n0.021137 0.395958 0.756586 F\n0.863022 0.701937 0.010142 F\n0.363022 0.798063 0.489857 F\n0.136978 0.298063 0.989857 F\n0.636978 0.201937 0.510143 F\n0.898981 0.634362 0.666216 F\n0.398981 0.865636 0.833783 F\n0.783586 0.318237 0.071008 F\n0.527712 0.664904 0.953036 F\n",
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"density_atomic": 0.06792376912046948,
"volume": 677.2297915095743,
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"formula_full": "Sb4 Au6 F36",
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{
"id": "jvasp-112415",
"created_at": "2022-09-04T14:38:40.088084Z",
"updated_at": "2022-09-04T14:38:40.088119Z",
"structure_string": "Li6 Mo2 P4 O16\n1.0\n9.043157 0.000000 0.000000\n-0.000000 4.037899 2.836018\n-0.000000 0.054892 7.780321\nLi Mo P O\n6 2 4 16\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.139292 0.314482 0.692500 Li\n0.860708 0.685518 0.307501 Li\n0.639292 0.685518 0.807501 Li\n0.360708 0.314482 0.192500 Li\n0.500000 0.000000 -0.000000 Li\n0.000000 0.500000 0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.182756 0.803823 0.220044 P\n0.682756 0.196177 0.279957 P\n0.317244 0.803823 0.720044 P\n0.817244 0.196177 0.779957 P\n0.400327 0.744352 0.908937 O\n0.346135 0.509679 0.700910 O\n0.146251 0.838987 0.741406 O\n0.367308 0.136901 0.512287 O\n0.900327 0.255647 0.591064 O\n0.099674 0.744352 0.408937 O\n0.599674 0.255648 0.091063 O\n0.846135 0.490321 0.799090 O\n0.153865 0.509679 0.200910 O\n0.867309 0.863098 0.987713 O\n0.632692 0.863098 0.487713 O\n0.132692 0.136902 0.012287 O\n0.353749 0.838988 0.241406 O\n0.646251 0.161012 0.758594 O\n0.653865 0.490321 0.299090 O\n0.853750 0.161012 0.258594 O\n",
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"formula_full": "Li6 Mo2 P4 O16",
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{
"id": "jvasp-112422",
"created_at": "2022-09-04T14:38:40.187866Z",
"updated_at": "2022-09-04T14:38:40.187893Z",
"structure_string": "Rb12 Mn4 O12\n1.0\n6.879764 0.031884 -0.003277\n-1.045493 6.956709 -0.003852\n0.005755 0.007495 11.822235\nRb Mn O\n12 4 12\ndirect\n0.009521 0.069616 0.275612 Rb\n0.990478 0.930384 0.724388 Rb\n0.009504 0.569615 0.224395 Rb\n0.990492 0.430384 0.775604 Rb\n0.527445 0.503680 0.707821 Rb\n0.527432 0.003675 0.792183 Rb\n0.472552 0.496321 0.292179 Rb\n0.472568 0.996326 0.207817 Rb\n0.339751 0.645161 0.987477 Rb\n0.339756 0.145165 0.512527 Rb\n0.660245 0.854838 0.487472 Rb\n0.660246 0.354837 0.012523 Rb\n0.841927 0.342432 0.496667 Mn\n0.158078 0.157563 0.996669 Mn\n0.158077 0.657567 0.503333 Mn\n0.841919 0.842433 0.003328 Mn\n0.271869 0.801513 0.383148 O\n0.728143 0.698493 0.883147 O\n0.728133 0.198492 0.616851 O\n0.271855 0.301506 0.116854 O\n0.899342 0.091359 0.927326 O\n0.100659 0.408641 0.427330 O\n0.899343 0.591366 0.572671 O\n0.100656 0.908639 0.072674 O\n0.299717 0.774697 0.624348 O\n0.700283 0.225305 0.375649 O\n0.700274 0.725289 0.124346 O\n0.299723 0.274708 0.875655 O\n",
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"formula_full": "Rb12 Mn4 O12",
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{
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"created_at": "2022-09-04T14:38:40.154584Z",
"updated_at": "2022-09-04T14:38:40.154611Z",
"structure_string": "Li4 Mn6 F16\n1.0\n10.340685 0.000000 0.000000\n-0.000000 4.625428 2.371969\n-0.000000 0.021429 6.327465\nLi Mn F\n4 6 16\ndirect\n0.138921 0.093581 0.352417 Li\n0.638921 0.406419 0.647584 Li\n0.361079 0.593581 0.352417 Li\n0.861079 0.906419 0.647584 Li\n0.141671 0.865153 0.895768 Mn\n0.000000 0.500000 0.500000 Mn\n0.641671 0.634848 0.104233 Mn\n0.858328 0.134847 0.104233 Mn\n0.500000 0.000000 0.500000 Mn\n0.358329 0.365153 0.895768 Mn\n0.192195 0.421745 0.058764 F\n0.042570 0.751063 0.667840 F\n0.561072 0.630984 0.800297 F\n0.061072 0.869017 0.199704 F\n0.542570 0.748938 0.332161 F\n0.317846 0.761820 0.576654 F\n0.807804 0.578255 0.941237 F\n0.957430 0.248938 0.332161 F\n0.457430 0.251063 0.667840 F\n0.938928 0.130984 0.800297 F\n0.438928 0.369017 0.199704 F\n0.817845 0.738181 0.423346 F\n0.182154 0.261820 0.576654 F\n0.692195 0.078255 0.941237 F\n0.682154 0.238181 0.423346 F\n0.307804 0.921745 0.058764 F\n",
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{
"id": "jvasp-111494",
"created_at": "2022-09-04T14:38:40.315329Z",
"updated_at": "2022-09-04T14:38:40.315359Z",
"structure_string": "Sm4 V2 Fe2 O12\n1.0\n5.557677 0.000000 0.000000\n0.000000 4.369053 3.013619\n0.000000 0.026074 9.229863\nSm V Fe O\n4 2 2 12\ndirect\n0.560291 0.734634 0.750295 Sm\n0.060290 0.265364 0.749705 Sm\n0.439710 0.265364 0.249705 Sm\n0.939710 0.734635 0.250295 Sm\n0.000000 -0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 Fe\n0.500000 0.499999 0.500000 Fe\n0.478921 0.164757 0.749348 O\n0.978921 0.835241 0.750652 O\n0.295125 0.344617 0.955189 O\n0.795125 0.655381 0.544811 O\n0.704325 0.245900 0.455316 O\n0.295675 0.754099 0.544684 O\n0.704876 0.655381 0.044811 O\n0.204875 0.344618 0.455189 O\n0.021079 0.164757 0.249348 O\n0.795676 0.245899 0.955316 O\n0.204325 0.754099 0.044684 O\n0.521079 0.835242 0.250652 O\n",
"nsites": 20,
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],
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"density": 7.4757070153340175,
"density_atomic": 0.08941310952214733,
"volume": 223.68084620797208,
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"formula_full": "Sm4 V2 Fe2 O12",
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{
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"created_at": "2022-09-04T14:38:40.783068Z",
"updated_at": "2022-09-04T14:38:40.783086Z",
"structure_string": "Sb4 Te4 Ru4\n1.0\n6.616986 0.000000 0.000000\n0.000000 6.114214 2.763224\n0.000000 -0.006256 6.767498\nSb Te Ru\n4 4 4\ndirect\n0.641241 0.859754 0.381849 Sb\n0.141241 0.140245 0.118151 Sb\n0.358760 0.140245 0.618151 Sb\n0.858760 0.859754 0.881849 Sb\n0.364773 0.653803 0.179899 Te\n0.864773 0.346196 0.320101 Te\n0.635228 0.346195 0.820101 Te\n0.135227 0.653803 0.679900 Te\n0.999135 0.723472 0.293515 Ru\n0.499134 0.276527 0.206485 Ru\n0.000866 0.276527 0.706485 Ru\n0.500866 0.723472 0.793515 Ru\n",
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],
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"density": 8.497672321654528,
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"formula_full": "Sb4 Te4 Ru4",
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{
"id": "jvasp-116513",
"created_at": "2022-09-04T14:38:41.135125Z",
"updated_at": "2022-09-04T14:38:41.135151Z",
"structure_string": "Li4 Tm4 O8\n1.0\n6.142442 0.000000 0.000000\n-0.000000 5.280271 2.853001\n0.000000 -0.036521 6.062204\nLi Tm O\n4 4 8\ndirect\n0.148346 0.720641 0.545791 Li\n0.648346 0.279359 0.954207 Li\n0.351654 0.720641 0.045792 Li\n0.851654 0.279359 0.454208 Li\n0.871181 0.761226 0.985392 Tm\n0.628819 0.761226 0.485392 Tm\n0.371181 0.238774 0.514607 Tm\n0.128819 0.238774 0.014607 Tm\n0.161096 0.995538 0.825300 O\n0.338904 0.995538 0.325300 O\n0.888952 0.540850 0.762829 O\n0.388952 0.459150 0.737170 O\n0.611048 0.540850 0.262829 O\n0.111048 0.459150 0.237171 O\n0.661096 0.004462 0.674699 O\n0.838904 0.004462 0.174699 O\n",
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"elements": [
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],
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"formula_full": "Li4 Tm4 O8",
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"spacegroup": 14
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{
"id": "jvasp-111717",
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