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{
"id": "jvasp-96852",
"created_at": "2022-09-04T14:36:05.751470Z",
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"structure_string": "V8 In8 Cu8 O40\n1.0\n6.218828 0.000000 0.000000\n0.000000 8.490461 -2.538691\n0.000000 0.010523 15.378040\nV In Cu O\n8 8 8 40\ndirect\n0.153483 0.069602 0.147621 V\n0.653483 0.930398 0.352379 V\n0.846517 0.930397 0.852379 V\n0.346517 0.069602 0.647621 V\n0.874064 0.323932 0.646825 V\n0.625937 0.323932 0.146825 V\n0.125936 0.676067 0.353175 V\n0.374064 0.676067 0.853175 V\n0.880726 0.624408 0.953173 In\n0.380726 0.375592 0.546827 In\n0.619274 0.624408 0.453173 In\n0.610413 0.296460 0.848144 In\n0.110413 0.703539 0.651855 In\n0.889587 0.296461 0.348145 In\n0.119274 0.375592 0.046827 In\n0.389587 0.703539 0.151856 In\n0.388426 0.286476 0.336222 Cu\n0.888426 0.713524 0.163778 Cu\n0.647361 0.933986 0.066192 Cu\n0.611575 0.713523 0.663778 Cu\n0.852640 0.933986 0.566192 Cu\n0.147361 0.066014 0.433808 Cu\n0.352639 0.066013 0.933808 Cu\n0.111574 0.286476 0.836222 Cu\n0.375963 0.721829 0.748530 O\n0.846577 0.766217 0.752624 O\n0.624038 0.278171 0.251470 O\n0.605411 0.370358 0.433783 O\n0.425021 0.028246 0.349269 O\n0.090679 0.447616 0.633986 O\n0.394589 0.629642 0.566217 O\n0.638085 0.420234 0.643390 O\n0.138085 0.579766 0.856610 O\n0.346577 0.233782 0.747376 O\n0.328277 0.286936 0.929484 O\n0.345909 0.137028 0.550573 O\n0.653423 0.766218 0.252624 O\n0.409321 0.447616 0.133986 O\n0.875695 0.055376 0.356672 O\n0.925021 0.971754 0.150731 O\n0.117515 0.849465 0.437664 O\n0.171723 0.286937 0.429484 O\n0.590679 0.552383 0.866014 O\n0.074980 0.028246 0.849269 O\n0.154091 0.137028 0.050573 O\n0.375694 0.944623 0.143328 O\n0.882485 0.150534 0.562336 O\n0.624306 0.055376 0.856672 O\n0.124306 0.944623 0.643328 O\n0.124037 0.721829 0.248530 O\n0.828277 0.713063 0.570516 O\n0.617516 0.150534 0.062336 O\n0.654091 0.862971 0.449427 O\n0.105411 0.629642 0.066217 O\n0.894590 0.370357 0.933783 O\n0.861916 0.420234 0.143390 O\n0.574980 0.971754 0.650731 O\n0.845909 0.862971 0.949427 O\n0.671723 0.713063 0.070516 O\n0.909321 0.552383 0.366014 O\n0.361916 0.579766 0.356610 O\n0.153423 0.233782 0.247376 O\n0.875963 0.278170 0.751470 O\n0.382485 0.849465 0.937664 O\n",
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{
"id": "jvasp-32328",
"created_at": "2022-09-04T14:38:39.319106Z",
"updated_at": "2022-09-04T14:38:39.319138Z",
"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",
"nsites": 64,
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"elements": [
"B",
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"density": 0.7903885653918507,
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"formula_full": "B20 H44",
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{
"id": "jvasp-20944",
"created_at": "2022-09-04T14:38:29.932255Z",
"updated_at": "2022-09-04T14:38:29.932279Z",
"structure_string": "K28 Li4 Si32\n1.0\n12.454053 0.000000 -0.000000\n0.000000 12.454053 0.000000\n-0.000000 0.000000 12.454053\nK Li Si\n28 4 32\ndirect\n0.274068 0.811023 0.043875 K\n0.688976 0.956125 0.774068 K\n0.774068 0.688976 0.956125 K\n0.956125 0.774068 0.688976 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.188977 0.956125 0.725932 K\n0.688976 0.543875 0.274068 K\n0.811023 0.456125 0.774068 K\n0.543875 0.274068 0.688976 K\n0.774068 0.811023 0.456125 K\n0.725932 0.188977 0.956125 K\n0.274068 0.688976 0.543875 K\n0.543875 0.225932 0.188977 K\n0.456125 0.774068 0.811023 K\n0.043875 0.225932 0.311023 K\n0.225932 0.311023 0.043875 K\n0.311023 0.043875 0.225932 K\n0.811023 0.043875 0.274068 K\n0.311023 0.456125 0.725932 K\n0.188977 0.543875 0.225932 K\n0.456125 0.725932 0.311023 K\n0.225932 0.188977 0.543875 K\n0.725932 0.311023 0.456125 K\n0.043875 0.274068 0.811023 K\n0.956125 0.725932 0.188977 K\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.051864 0.700074 0.932802 Si\n0.303178 0.196822 0.803178 Si\n0.196822 0.803178 0.303178 Si\n0.803178 0.303178 0.196822 Si\n0.696822 0.696822 0.696822 Si\n0.696822 0.803178 0.196822 Si\n0.700074 0.567198 0.551864 Si\n0.196822 0.696822 0.803178 Si\n0.303178 0.303178 0.303178 Si\n0.432802 0.051864 0.799926 Si\n0.932802 0.448136 0.200074 Si\n0.567198 0.551864 0.700074 Si\n0.448136 0.200074 0.932802 Si\n0.700074 0.932802 0.051864 Si\n0.803178 0.196822 0.696822 Si\n0.200074 0.932802 0.448136 Si\n0.799926 0.432802 0.051864 Si\n0.551864 0.700074 0.567198 Si\n0.948136 0.299926 0.067198 Si\n0.299926 0.067198 0.948136 Si\n0.067198 0.948136 0.299926 Si\n0.567198 0.948136 0.200074 Si\n0.067198 0.551864 0.799926 Si\n0.432802 0.448136 0.299926 Si\n0.551864 0.799926 0.067198 Si\n0.299926 0.432802 0.448136 Si\n0.799926 0.067198 0.551864 Si\n0.948136 0.200074 0.567198 Si\n0.200074 0.567198 0.948136 Si\n0.051864 0.799926 0.432802 Si\n0.448136 0.299926 0.432802 Si\n0.932802 0.051864 0.700074 Si\n",
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"Li",
"Si"
],
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"volume": 1931.6664140053942,
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"formula_full": "K28 Li4 Si32",
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},
{
"id": "jvasp-104101",
"created_at": "2022-09-04T14:37:06.461007Z",
"updated_at": "2022-09-04T14:37:06.461033Z",
"structure_string": "H40 C20 S4\n1.0\n7.398371 0.000000 -2.602618\n0.000000 8.919117 0.000000\n-0.106037 0.000000 7.947053\nH C S\n40 20 4\ndirect\n0.374691 0.123538 0.465145 H\n0.870150 0.631958 0.789784 H\n0.129849 0.368042 0.210215 H\n0.125961 0.123978 0.035309 H\n0.874038 0.876022 0.964690 H\n0.874038 0.623978 0.464691 H\n0.125961 0.376022 0.535308 H\n0.368436 0.126901 0.119289 H\n0.631563 0.873099 0.880711 H\n0.631563 0.626901 0.380711 H\n0.368526 0.886602 0.948853 H\n0.631474 0.113398 0.051146 H\n0.631473 0.386602 0.551146 H\n0.368526 0.613398 0.448853 H\n0.129596 0.887582 0.866794 H\n0.870404 0.112418 0.133205 H\n0.870403 0.387582 0.633205 H\n0.129596 0.612418 0.366794 H\n0.870150 0.868042 0.289784 H\n0.129849 0.131958 0.710215 H\n0.368436 0.373099 0.619288 H\n0.629163 0.631517 0.709788 H\n0.370837 0.368483 0.290212 H\n0.625308 0.876462 0.534854 H\n0.625308 0.623538 0.034855 H\n0.374691 0.376462 0.965145 H\n0.132238 0.127324 0.381106 H\n0.867762 0.627324 0.118893 H\n0.132237 0.372677 0.881106 H\n0.369683 0.887081 0.633165 H\n0.867762 0.872677 0.618893 H\n0.630316 0.387081 0.866834 H\n0.369684 0.612920 0.133166 H\n0.130766 0.887088 0.551089 H\n0.869233 0.112912 0.448910 H\n0.869233 0.387088 0.948910 H\n0.130766 0.612913 0.051090 H\n0.370836 0.131517 0.790211 H\n0.630316 0.112920 0.366834 H\n0.629163 0.868483 0.209788 H\n0.249503 0.538451 0.409329 C\n0.248485 0.053555 0.071173 C\n0.751515 0.946445 0.928827 C\n0.751515 0.553555 0.428827 C\n0.750497 0.461549 0.590670 C\n0.249502 0.961549 0.909329 C\n0.750497 0.038451 0.090670 C\n0.250145 0.441693 0.250148 C\n0.248484 0.446445 0.571172 C\n0.749854 0.558307 0.749851 C\n0.748199 0.553550 0.070882 C\n0.250145 0.058307 0.750148 C\n0.250233 0.538449 0.090777 C\n0.749766 0.461551 0.909222 C\n0.749766 0.038449 0.409222 C\n0.250233 0.961551 0.590777 C\n0.251800 0.446451 0.929117 C\n0.748199 0.946451 0.570882 C\n0.251800 0.053550 0.429118 C\n0.749854 0.941693 0.249851 C\n0.750182 0.424532 0.249966 S\n0.249817 0.924532 0.250034 S\n0.750182 0.075468 0.749965 S\n0.249817 0.575468 0.750034 S\n",
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{
"id": "jvasp-97328",
"created_at": "2022-09-04T14:36:02.397288Z",
"updated_at": "2022-09-04T14:36:02.397313Z",
"structure_string": "K8 Si8 Sb8 O40\n1.0\n6.522980 0.000000 0.000000\n0.000000 10.746569 0.000000\n0.000000 0.000000 13.123108\nK Si Sb O\n8 8 8 40\ndirect\n0.804066 0.062139 0.607414 K\n0.304066 0.562139 0.892587 K\n0.695934 0.062139 0.107414 K\n0.774269 0.307917 0.382074 K\n0.274269 0.807917 0.117927 K\n0.725730 0.307917 0.882074 K\n0.225731 0.807917 0.617927 K\n0.195934 0.562139 0.392587 K\n0.004086 0.001341 0.318641 Si\n0.824815 0.750722 0.000510 Si\n0.324816 0.250722 0.499491 Si\n0.675184 0.750722 0.500510 Si\n0.175184 0.250722 -0.000510 Si\n0.504086 0.501341 0.181359 Si\n0.495914 0.001341 0.818641 Si\n0.995914 0.501341 0.681359 Si\n0.500811 0.001332 0.381830 Sb\n0.753739 0.749599 0.252895 Sb\n0.246261 0.249599 0.747105 Sb\n0.746261 0.749599 0.752895 Sb\n0.253739 0.249599 0.247105 Sb\n0.000811 0.501332 0.118170 Sb\n-0.000811 0.001332 0.881830 Sb\n0.499189 0.501332 0.618170 Sb\n0.198710 0.973516 0.393982 O\n0.325558 0.232300 0.098364 O\n0.825558 0.732300 0.401636 O\n0.174442 0.232300 0.598364 O\n0.681318 0.766519 0.102427 O\n0.318682 0.266519 0.897573 O\n0.818682 0.766519 0.602427 O\n0.181318 0.266519 0.397573 O\n0.530429 0.874821 0.272481 O\n0.533536 0.877422 0.492487 O\n0.469571 0.374821 0.727519 O\n0.969571 0.874821 0.772481 O\n0.030429 0.374821 0.227519 O\n0.482446 0.131897 0.274321 O\n0.517554 0.631897 0.725679 O\n0.017554 0.131897 0.774321 O\n0.982446 0.631897 0.225679 O\n0.957907 0.886203 0.239292 O\n0.042093 0.386203 0.760708 O\n0.542093 0.886203 0.739292 O\n0.457907 0.386203 0.260708 O\n0.042805 0.117228 0.238478 O\n0.957195 0.617228 0.761522 O\n0.033536 0.377422 0.007513 O\n0.457195 0.117228 0.738478 O\n0.542805 0.617228 0.261522 O\n0.801290 0.473516 0.606018 O\n0.301290 0.973516 0.893982 O\n0.698710 0.473516 0.106018 O\n0.806919 0.033186 0.391804 O\n0.193081 0.533186 0.608197 O\n0.693081 0.033186 0.891804 O\n0.306919 0.533186 0.108196 O\n0.487678 0.134858 0.488235 O\n0.512322 0.634858 0.511765 O\n0.012322 0.134858 0.988235 O\n0.987678 0.634858 0.011765 O\n0.466464 0.377422 0.507513 O\n0.674442 0.732300 0.901636 O\n0.966464 0.877422 0.992487 O\n",
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"density": 3.883677826125578,
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"volume": 919.9253388084039,
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"formula_full": "K8 Si8 Sb8 O40",
"formula_reduced": "KSiSbO5",
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{
"id": "jvasp-95245",
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