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{
"id": "jvasp-29489",
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"structure_string": "Al8 H24 O24\n1.0\n5.075468 0.000000 -0.027961\n0.000000 8.726173 0.000000\n-0.009479 0.000000 9.323782\nAl H O\n8 24 24\ndirect\n0.463619 0.832864 0.503582 Al\n0.029212 0.334991 0.496389 Al\n0.963619 0.667136 0.003583 Al\n0.529212 0.165009 0.996389 Al\n0.036381 0.332864 0.996417 Al\n0.970788 0.665009 0.503611 Al\n0.470788 0.834990 0.003611 Al\n0.536381 0.167136 0.496418 Al\n0.825726 0.204360 0.710052 H\n0.355928 0.598092 0.153338 H\n0.046042 0.505530 0.289396 H\n0.546042 0.994469 0.789396 H\n0.455752 0.419053 0.615151 H\n0.544248 0.580947 0.384849 H\n0.325726 0.295640 0.210052 H\n0.644072 0.401908 0.846662 H\n0.674274 0.704360 0.789948 H\n0.453958 0.005531 0.210604 H\n0.812669 0.958464 0.371010 H\n0.735735 0.765943 0.215647 H\n0.955753 0.080947 0.115151 H\n0.855928 0.901908 0.653338 H\n0.235734 0.734056 0.715647 H\n0.687331 0.458465 0.128990 H\n0.144072 0.098092 0.346662 H\n0.264265 0.234056 0.784353 H\n0.044247 0.919052 0.884848 H\n0.312669 0.541535 0.871010 H\n0.174274 0.795640 0.289948 H\n0.764266 0.265944 0.284353 H\n0.187331 0.041535 0.628990 H\n0.953958 0.494469 0.710604 H\n0.142026 0.827290 0.390556 O\n0.354098 0.323773 0.603988 O\n0.371881 0.012381 0.611861 O\n0.857974 0.172709 0.609444 O\n0.642026 0.672709 0.890556 O\n0.275150 0.696033 0.618223 O\n0.775371 0.807575 0.618094 O\n0.724850 0.303967 0.381777 O\n0.724629 0.307575 0.881906 O\n0.645903 0.676226 0.396012 O\n0.128119 0.512381 0.888139 O\n0.127459 0.510351 0.386220 O\n0.871881 0.487618 0.111861 O\n0.224850 0.196033 0.881777 O\n0.224629 0.192425 0.381906 O\n0.775150 0.803966 0.118223 O\n0.275371 0.692425 0.118094 O\n0.627459 0.989648 0.886220 O\n0.372541 0.010352 0.113779 O\n0.628119 0.987618 0.388139 O\n0.145902 0.823773 0.896012 O\n0.872541 0.489648 0.613779 O\n0.854098 0.176226 0.103988 O\n0.357974 0.327291 0.109444 O\n",
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{
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"updated_at": "2022-09-04T14:36:20.961321Z",
"structure_string": "H28 N4 O24\n1.0\n9.596275 0.000066 -0.014855\n0.001798 14.252735 -0.018568\n0.005491 0.003187 3.341468\nH N O\n28 4 24\ndirect\n0.497099 0.675721 0.027089 H\n0.737602 0.453661 0.834613 H\n0.689799 0.346758 0.867550 H\n0.658936 0.627559 0.998938 H\n0.874359 0.585161 0.915979 H\n0.809993 0.662084 0.620656 H\n0.127182 0.085184 0.583728 H\n0.191556 0.162062 0.879380 H\n0.342534 0.127619 0.500973 H\n0.311678 0.846715 0.632455 H\n0.131309 0.867709 0.261802 H\n0.263850 0.953621 0.665656 H\n0.566172 0.440758 0.273858 H\n0.410523 0.460950 0.404721 H\n0.870151 0.367782 0.238216 H\n0.019255 0.499980 0.353466 H\n0.894382 0.045012 0.489630 H\n-0.017808 -0.000074 0.146370 H\n0.590993 -0.039066 0.095439 H\n0.435377 0.940767 0.226487 H\n0.469626 0.071539 0.221654 H\n0.504327 0.175831 0.472951 H\n0.959863 0.821286 0.240857 H\n0.087794 0.792004 0.908215 H\n0.913714 0.292093 0.591581 H\n0.041608 0.321356 0.258838 H\n0.531904 0.571508 0.278531 H\n0.107149 0.544920 0.010221 H\n0.265011 0.337324 0.113295 N\n0.255707 0.675642 0.795403 N\n0.736466 0.837254 0.386569 N\n0.745760 0.175755 0.704265 N\n0.569732 0.638686 0.171615 O\n0.273735 0.900902 0.478522 O\n0.508405 0.482778 0.440608 O\n0.011435 0.527081 0.086192 O\n0.213767 0.103616 0.732922 O\n-0.009925 0.027137 0.413502 O\n0.493102 -0.017243 0.059642 O\n0.431754 0.138737 0.328402 O\n0.052432 0.846064 0.078708 O\n0.949055 0.346142 0.421206 O\n0.248509 0.411232 0.315758 O\n0.376588 0.314037 -0.042530 O\n0.723804 0.090850 0.631833 O\n0.752978 0.911187 0.184543 O\n0.155009 0.282160 0.068171 O\n0.351969 0.736859 0.859019 O\n0.649465 0.236972 0.640962 O\n0.846474 0.782046 0.431280 O\n0.137950 0.702924 0.659384 O\n0.863517 0.203026 0.840258 O\n0.624894 0.814009 0.542303 O\n0.787773 0.603634 0.766927 O\n0.277671 0.590745 0.867768 O\n0.727738 0.400949 0.021619 O\n",
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{
"id": "jvasp-27075",
"created_at": "2022-09-04T14:38:02.793569Z",
"updated_at": "2022-09-04T14:38:02.793596Z",
"structure_string": "Li4 Al20 O32\n1.0\n7.974386 -0.000000 -0.000000\n-0.000000 7.974386 -0.000000\n0.000000 -0.000000 7.974386\nLi Al O\n4 20 32\ndirect\n0.125000 0.875000 0.375000 Li\n0.375000 0.125000 0.875000 Li\n0.625000 0.625000 0.625000 Li\n0.875000 0.375000 0.125000 Li\n0.881449 0.125000 0.368551 Al\n0.875000 0.868552 0.618552 Al\n0.868552 0.618552 0.875000 Al\n0.752229 0.247772 0.747772 Al\n0.631449 0.381449 0.375000 Al\n0.625000 0.131449 0.118551 Al\n0.618552 0.875000 0.868552 Al\n0.502228 0.002228 0.497772 Al\n0.497772 0.502228 0.002228 Al\n0.747772 0.752229 0.247772 Al\n0.375000 0.631449 0.381449 Al\n0.368551 0.881449 0.125000 Al\n0.252228 0.252228 0.252228 Al\n0.247772 0.747772 0.752229 Al\n0.131449 0.118551 0.625000 Al\n0.125000 0.368551 0.881449 Al\n0.118551 0.625000 0.131449 Al\n0.002228 0.497772 0.502228 Al\n0.997772 0.997772 0.997772 Al\n0.381449 0.375000 0.631449 Al\n0.384717 0.115135 0.132193 O\n0.384866 0.867808 0.884717 O\n0.385422 0.385422 0.385422 O\n0.615135 0.367807 0.615284 O\n0.617808 0.365135 0.134716 O\n0.632193 0.115284 0.884866 O\n0.882193 0.634866 0.634717 O\n0.634866 0.634717 0.882193 O\n0.635422 0.135422 0.364578 O\n0.865135 0.365284 0.382193 O\n0.884717 0.384866 0.867808 O\n0.885422 0.114578 0.614578 O\n0.382193 0.865135 0.365284 O\n0.634717 0.882193 0.634866 O\n0.367807 0.615284 0.615135 O\n0.865284 0.117807 0.134865 O\n0.365135 0.134716 0.617808 O\n0.364578 0.635422 0.135422 O\n0.134865 0.865284 0.117807 O\n0.132193 0.384717 0.115135 O\n0.117807 0.134865 0.865284 O\n0.115284 0.884866 0.632193 O\n0.115135 0.132193 0.384717 O\n0.114578 0.614578 0.885422 O\n0.884866 0.632193 0.115284 O\n0.867808 0.884717 0.384866 O\n0.134716 0.617808 0.365135 O\n0.864579 0.864579 0.864579 O\n0.615284 0.615135 0.367807 O\n0.614578 0.885422 0.114578 O\n0.365284 0.382193 0.865135 O\n0.135422 0.364578 0.635422 O\n",
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"chemical_system": "Al-Li-O",
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"formula_full": "Li4 Al20 O32",
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{
"id": "jvasp-25631",
"created_at": "2022-09-04T14:37:39.890888Z",
"updated_at": "2022-09-04T14:37:39.890907Z",
"structure_string": "Na4 Nb8 P4 S40\n1.0\n7.454335 -0.000000 -2.360225\n-0.078552 13.033175 -0.248090\n0.017852 -0.065578 13.008063\nNa Nb P S\n4 8 4 40\ndirect\n0.937790 0.886294 0.884681 Na\n0.053110 0.613705 0.115319 Na\n0.946889 0.386294 0.884681 Na\n0.062209 0.113705 0.115319 Na\n0.418709 0.488042 0.716600 Nb\n0.297892 0.988042 0.716600 Nb\n0.572916 0.221259 0.282263 Nb\n0.427084 0.778740 0.717736 Nb\n0.290652 0.278740 0.717736 Nb\n0.702108 0.011957 0.283399 Nb\n0.709347 0.721259 0.282263 Nb\n0.581290 0.511957 0.283399 Nb\n0.205344 0.369290 0.207424 P\n0.002080 0.869290 0.207424 P\n-0.002080 0.130709 0.792576 P\n0.794655 0.630709 0.792575 P\n0.419136 0.904109 0.573536 S\n0.494337 0.134673 0.683955 S\n0.154400 0.404110 0.573537 S\n0.310297 0.423259 0.864926 S\n0.662149 0.369983 0.423610 S\n0.048865 0.738711 0.297919 S\n0.583029 0.636030 0.860162 S\n0.401525 0.356269 0.572015 S\n0.319453 0.853169 0.866243 S\n0.546789 0.353169 0.866242 S\n0.144242 0.872086 0.102099 S\n0.680546 0.146830 0.133757 S\n0.189618 0.634673 0.683955 S\n0.845599 0.595890 0.426463 S\n0.810382 0.365326 0.316044 S\n0.277133 0.136031 0.860162 S\n0.042143 0.627913 0.897901 S\n0.855757 0.127913 0.897900 S\n0.951134 0.261289 0.702081 S\n0.689702 0.576741 0.135073 S\n0.829510 0.143730 0.427984 S\n0.260091 0.501267 0.302357 S\n0.238539 0.130017 0.576389 S\n0.722867 0.863969 0.139837 S\n0.337851 0.630017 0.576389 S\n0.170489 0.856269 0.572016 S\n0.739908 0.498732 0.697642 S\n0.957734 0.998732 0.697642 S\n0.416971 0.363969 0.139838 S\n0.580863 0.095890 0.426463 S\n0.453210 0.646830 0.133757 S\n0.761461 0.869982 0.423610 S\n0.042266 0.001268 0.302357 S\n0.554628 0.923259 0.864926 S\n0.957857 0.372086 0.102099 S\n0.249053 0.238711 0.297918 S\n0.598474 0.643730 0.427984 S\n0.505663 0.865326 0.316045 S\n0.750946 0.761288 0.702081 S\n0.445371 0.076741 0.135074 S\n",
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{
"id": "jvasp-98674",
"created_at": "2022-09-04T14:36:20.447020Z",
"updated_at": "2022-09-04T14:36:20.447044Z",
"structure_string": "Cd8 B16 O32\n1.0\n8.936775 -0.000000 0.000000\n-4.468387 7.739474 -0.000000\n0.000000 0.000000 7.223831\nCd B O\n8 16 32\ndirect\n0.478745 0.954975 0.540723 Cd\n0.954974 0.476229 0.040723 Cd\n0.045025 0.523770 0.540723 Cd\n0.476229 0.521254 0.540723 Cd\n0.521254 0.045025 0.040723 Cd\n0.000000 0.000000 0.564019 Cd\n0.000000 0.000000 0.064019 Cd\n0.523770 0.478745 0.040723 Cd\n0.846552 0.173561 0.731592 B\n0.153447 0.826438 0.231592 B\n0.173561 0.327009 0.231592 B\n0.327009 0.153447 0.731592 B\n0.847153 0.176108 0.345444 B\n0.666666 0.333333 0.366866 B\n0.333333 0.666666 0.252641 B\n0.666666 0.333333 0.752641 B\n0.671045 0.847153 0.845444 B\n0.176108 0.328954 0.845444 B\n0.823891 0.671045 0.345444 B\n0.328954 0.152846 0.345444 B\n0.152846 0.823891 0.845444 B\n0.672990 0.846552 0.231592 B\n0.333333 0.666666 0.866866 B\n0.826438 0.672991 0.731592 B\n0.813648 0.996108 0.328839 O\n0.492255 0.208540 0.830726 O\n0.283715 0.492255 0.330726 O\n0.208539 0.716284 0.330726 O\n0.791460 0.283715 0.830726 O\n0.993322 0.291155 0.220000 O\n0.507744 0.791460 0.330726 O\n0.291155 0.297832 0.720000 O\n0.297832 0.006677 0.220000 O\n0.702166 0.993322 0.720000 O\n0.716284 0.507744 0.830726 O\n0.817539 0.813648 0.828839 O\n0.003891 0.817539 0.328839 O\n0.182460 0.186351 0.328839 O\n0.006677 0.708844 0.720000 O\n0.708844 0.702167 0.220000 O\n0.307010 0.810291 0.795327 O\n0.496718 0.307010 0.295327 O\n0.810291 0.503281 0.295327 O\n0.189708 0.496718 0.795327 O\n0.503281 0.692989 0.795327 O\n0.996108 0.182460 0.828839 O\n0.692989 0.189708 0.295327 O\n0.333333 0.666666 0.060854 O\n0.329895 0.092242 0.537887 O\n0.092242 0.762347 0.037887 O\n0.907757 0.237653 0.537887 O\n0.762346 0.670105 0.537887 O\n0.670104 0.907758 0.037887 O\n0.186351 0.003891 0.828839 O\n0.666666 0.333333 0.560854 O\n0.237653 0.329895 0.037887 O\n",
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"formula_full": "Cd8 B16 O32",
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{
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"created_at": "2022-09-04T14:35:41.765045Z",
"updated_at": "2022-09-04T14:35:41.765070Z",
"structure_string": "Al1 Cu1 H28 S2 Cl1 O22\n1.0\n6.275238 -0.004171 -0.513361\n1.696435 13.101463 -0.429325\n-0.003194 -0.002692 6.206551\nAl Cu H S Cl O\n1 1 28 2 1 22\ndirect\n0.500001 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Cu\n0.221342 0.318048 0.371666 H\n0.778658 0.681952 0.628335 H\n0.642192 0.680442 0.391666 H\n0.533704 0.279948 0.910608 H\n0.466296 0.720052 0.089393 H\n0.283755 0.311555 0.951654 H\n0.716246 0.688445 0.048347 H\n0.885827 0.400480 0.991798 H\n0.114173 0.599520 0.008203 H\n0.151624 0.526633 0.216002 H\n0.848376 0.473367 0.783999 H\n0.718503 0.453669 0.362718 H\n0.281497 0.546331 0.637283 H\n0.357808 0.319558 0.608335 H\n0.493361 0.610720 0.647101 H\n0.506639 0.389280 0.352900 H\n0.713103 0.133002 0.349238 H\n0.517860 0.806555 0.582533 H\n0.482140 0.193445 0.417468 H\n0.879855 0.898267 0.534058 H\n0.120145 0.101733 0.465943 H\n0.286897 0.866998 0.650763 H\n0.199336 0.092888 0.726466 H\n0.311091 0.909148 0.171486 H\n0.688910 0.090852 0.828515 H\n0.694944 0.969802 0.877092 H\n0.800665 0.907112 0.273535 H\n0.305057 0.030198 0.122909 H\n0.016256 0.806570 0.933095 S\n0.983744 0.193430 0.066906 S\n-0.000000 0.500000 0.500000 Cl\n0.376408 0.972776 0.215665 O\n0.623592 0.027224 0.784336 O\n0.421522 0.557339 0.714343 O\n0.578478 0.442661 0.285658 O\n0.596447 0.671718 0.129620 O\n0.797875 0.462178 0.927676 O\n0.230356 0.068095 0.575989 O\n0.403553 0.328282 0.870381 O\n0.202126 0.537822 0.072325 O\n0.769645 0.931905 0.424012 O\n0.054924 0.842045 0.716131 O\n0.430896 0.876276 0.601444 O\n0.785376 0.196609 0.920400 O\n0.214624 0.803391 0.079601 O\n0.159628 0.121900 0.977968 O\n0.840373 0.878100 0.022032 O\n0.945076 0.157954 0.283870 O\n0.052058 0.297337 0.090366 O\n0.947942 0.702663 0.909635 O\n0.633980 0.694983 0.552684 O\n0.569105 0.123724 0.398557 O\n0.366020 0.305017 0.447317 O\n",
"nsites": 55,
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"density": 1.8558898760167009,
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"formula_full": "Al1 Cu1 H28 S2 Cl1 O22",
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},
{
"id": "jvasp-88347",
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