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{
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"structure_string": "Cr2 Cl4 O4\n1.0\n5.413085 0.000000 0.000000\n0.000000 6.983785 0.000000\n0.000000 2.137193 7.436441\nCr Cl O\n2 4 4\ndirect\n0.824162 0.336320 0.275060 Cr\n0.324162 0.663680 0.724940 Cr\n0.944751 0.155121 0.111856 Cl\n0.444751 0.844879 0.888144 Cl\n0.935997 0.222525 0.547532 Cl\n0.435997 0.777475 0.452468 Cl\n0.935354 0.553875 0.198551 O\n0.435354 0.446125 0.801449 O\n0.530826 0.346718 0.268146 O\n0.030826 0.653282 0.731854 O\n",
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{
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"structure_string": "Li2 Co2 P2 C2 O14\n1.0\n6.071143 0.000000 0.000000\n0.000000 5.031859 0.000000\n0.000000 0.630491 8.576513\nLi Co P C O\n2 2 2 2 14\ndirect\n0.990014 0.219779 0.220363 Li\n0.490014 0.780221 0.779637 Li\n0.749759 0.790758 0.334274 Co\n0.249759 0.209242 0.665726 Co\n0.254800 0.721816 0.429664 P\n0.754800 0.278184 0.570336 P\n0.748942 0.725420 0.066349 C\n0.248942 0.274580 0.933651 C\n0.560444 0.180400 0.678405 O\n0.753216 0.959788 0.125620 O\n0.266874 0.464021 0.817585 O\n0.766874 0.535979 0.182415 O\n0.449296 0.791955 0.315439 O\n0.765336 0.137459 0.417604 O\n0.949296 0.208045 0.684561 O\n0.265336 0.862541 0.582396 O\n0.060444 0.819600 0.321595 O\n0.239612 0.416367 0.468273 O\n0.724908 0.683408 0.928243 O\n0.224908 0.316592 0.071757 O\n0.739612 0.583633 0.531727 O\n0.253216 0.040212 0.874380 O\n",
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{
"id": "mp-1377306",
"created_at": "2022-09-04T14:43:52.381335Z",
"structure_string": "Mg2 V4 Bi4 O20\n1.0\n11.116162 0.000000 0.000000\n0.000000 5.447747 0.000000\n0.000000 2.605809 7.849530\nMg V Bi O\n2 4 4 20\ndirect\n0.081990 0.881058 0.576688 Mg\n0.581990 0.118942 0.423312 Mg\n0.643428 0.449548 0.705387 V\n0.351745 0.045007 0.782016 V\n0.143428 0.550452 0.294613 V\n0.851745 0.954993 0.217984 V\n0.087293 0.138491 0.914098 Bi\n0.902488 0.381755 0.584271 Bi\n0.402488 0.618245 0.415729 Bi\n0.587293 0.861509 0.085902 Bi\n0.081146 0.725763 0.098505 O\n0.943131 0.194905 0.081577 O\n0.192081 0.756776 0.410768 O\n0.541681 0.497371 0.279234 O\n0.278502 0.428820 0.261815 O\n0.223382 0.916683 0.728187 O\n0.552654 0.715045 0.580845 O\n0.443131 0.805095 0.918423 O\n0.471947 0.984395 0.253899 O\n0.581146 0.274237 0.901495 O\n0.723382 0.083317 0.271813 O\n0.934563 0.788689 0.409113 O\n0.434563 0.211311 0.590887 O\n0.778502 0.571180 0.738185 O\n0.041681 0.502629 0.720766 O\n0.971947 0.015605 0.746101 O\n0.792515 0.747048 0.116833 O\n0.052654 0.284955 0.419155 O\n0.692081 0.243224 0.589232 O\n0.292515 0.252952 0.883167 O\n",
"nsites": 30,
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"elements": [
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],
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"volume": 475.35213749011194,
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"formula_full": "Mg2 V4 Bi4 O20",
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{
"id": "mp-759161",
"created_at": "2022-09-04T14:43:52.397109Z",
"structure_string": "H42 C12 N4 Cl6\n1.0\n10.601391 0.000000 0.000000\n0.000000 5.444077 0.000000\n0.000000 0.482459 11.543917\nH C N Cl\n42 12 4 6\ndirect\n0.732279 0.974560 0.677981 H\n0.377994 0.979015 0.102171 H\n0.672066 0.963708 0.209412 H\n0.844771 0.934477 0.392117 H\n0.572567 0.928800 0.453568 H\n0.340240 0.881755 0.908777 H\n0.517174 0.874524 0.706324 H\n0.752872 0.798374 0.905061 H\n0.104852 0.864861 0.048116 H\n0.891649 0.752818 0.992812 H\n0.188556 0.778512 0.422977 H\n0.146048 0.766380 0.272711 H\n0.623103 0.766782 0.096164 H\n0.463888 0.715151 0.523625 H\n0.137492 0.686244 0.923933 H\n0.950767 0.728782 0.469525 H\n0.932762 0.709329 0.315573 H\n0.629745 0.690763 0.551489 H\n0.771829 0.716267 0.166806 H\n0.232986 0.650072 0.052077 H\n0.038845 0.561105 0.685583 H\n0.538845 0.438895 0.314417 H\n0.732986 0.349928 0.947923 H\n0.271829 0.283733 0.833194 H\n0.129745 0.309237 0.448511 H\n0.432762 0.290671 0.684427 H\n0.450767 0.271218 0.530475 H\n0.637492 0.313756 0.076067 H\n0.963888 0.284849 0.476375 H\n0.123103 0.233218 0.903836 H\n0.646048 0.233620 0.727289 H\n0.688556 0.221488 0.577023 H\n0.391649 0.247182 0.007188 H\n0.604852 0.135139 0.951884 H\n0.252872 0.201626 0.094939 H\n0.017174 0.125476 0.293676 H\n0.840240 0.118245 0.091223 H\n0.072567 0.071200 0.546432 H\n0.344771 0.065523 0.607883 H\n0.172066 0.036292 0.790588 H\n0.877994 0.020985 0.897829 H\n0.232279 0.025440 0.322019 H\n0.826472 0.889284 0.954391 C\n0.160450 0.887152 0.344931 C\n0.703750 0.855515 0.136703 C\n0.934057 0.833741 0.387822 C\n0.551898 0.818087 0.532846 C\n0.178772 0.779987 0.996961 C\n0.678772 0.220013 0.003039 C\n0.051898 0.181913 0.467154 C\n0.434057 0.166259 0.612178 C\n0.203750 0.144485 0.863297 C\n0.660450 0.112848 0.655069 C\n0.326472 0.110716 0.045609 C\n0.266285 0.974578 0.950477 N\n0.538898 0.985743 0.631099 N\n0.038898 0.014257 0.368901 N\n0.766285 0.025422 0.049523 N\n0.495902 0.676210 0.859163 Cl\n0.186660 0.636737 0.648249 Cl\n0.908432 0.505796 0.723674 Cl\n0.408432 0.494204 0.276326 Cl\n0.686660 0.363263 0.351751 Cl\n0.995902 0.323790 0.140837 Cl\n",
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"formula_full": "H42 C12 N4 Cl6",
"formula_reduced": "H21C6N2Cl3",
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{
"id": "mp-768164",
"created_at": "2022-09-04T14:43:52.464355Z",
"structure_string": "Li2 Ge2 P2 C2 O14\n1.0\n6.232561 0.000000 0.000000\n0.000000 5.065508 0.000000\n0.000000 0.683766 8.595755\nLi Ge P C O\n2 2 2 2 14\ndirect\n0.474901 0.771860 0.816669 Li\n0.974901 0.228140 0.183331 Li\n0.248515 0.211202 0.662667 Ge\n0.748515 0.788798 0.337333 Ge\n0.754219 0.265251 0.568933 P\n0.254219 0.734749 0.431067 P\n0.253290 0.274738 0.934310 C\n0.753290 0.725262 0.065690 C\n0.730764 0.686145 0.927842 O\n0.255191 0.038993 0.873833 O\n0.271001 0.467701 0.817245 O\n0.948469 0.196077 0.673525 O\n0.558634 0.179595 0.669695 O\n0.259800 0.873494 0.584887 O\n0.747366 0.570676 0.522824 O\n0.247366 0.429324 0.477176 O\n0.759800 0.126506 0.415113 O\n0.058634 0.820405 0.330305 O\n0.448469 0.803923 0.326475 O\n0.771001 0.532299 0.182755 O\n0.755191 0.961007 0.126167 O\n0.230764 0.313855 0.072158 O\n",
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"formula_full": "Li2 Ge2 P2 C2 O14",
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{
"id": "mp-977037",
"created_at": "2022-09-04T14:43:52.096695Z",
"structure_string": "K2 Ce2 P8 O24\n1.0\n8.475407 0.000000 0.000000\n0.000000 7.260185 0.000000\n0.000000 0.324867 8.191161\nK Ce P O\n2 2 8 24\ndirect\n0.750566 0.795053 0.775393 K\n0.250566 0.204947 0.224607 K\n0.498323 0.269650 0.747514 Ce\n0.998323 0.730350 0.252486 Ce\n0.124647 0.051377 0.602609 P\n0.624647 0.948623 0.397391 P\n0.763299 0.134453 0.104679 P\n0.263299 0.865547 0.895321 P\n0.636088 0.504859 0.124980 P\n0.136088 0.495141 0.875020 P\n0.922359 0.389019 0.598284 P\n0.422359 0.610981 0.401716 P\n0.710331 0.122022 0.930496 O\n0.210331 0.877978 0.069504 O\n0.054530 0.501381 0.697048 O\n0.554530 0.498619 0.302952 O\n0.620000 0.056191 0.221247 O\n0.120000 0.943809 0.778753 O\n0.722310 0.684524 0.098499 O\n0.222310 0.315476 0.901501 O\n0.596125 0.085408 0.527504 O\n0.096125 0.914592 0.472496 O\n0.266208 0.174605 0.579804 O\n0.766208 0.825395 0.420196 O\n0.519575 0.441861 0.000520 O\n0.019575 0.558139 0.999480 O\n0.768334 0.346695 0.154522 O\n0.268334 0.653305 0.845478 O\n0.447492 0.549902 0.576939 O\n0.947492 0.450098 0.423061 O\n0.417035 0.952751 0.843948 O\n0.917035 0.047249 0.156052 O\n0.965871 0.172452 0.625317 O\n0.465871 0.827548 0.374683 O\n0.764232 0.416571 0.676955 O\n0.264232 0.583429 0.323045 O\n",
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{
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"structure_string": "Cs6 Re12 S14 Cl14\n1.0\n13.287602 0.000000 0.000000\n0.000000 9.464210 0.000000\n0.000000 3.256508 10.908471\nCs Re S Cl\n6 12 14 14\ndirect\n0.259372 0.975680 0.885736 Cs\n0.759372 0.024320 0.114264 Cs\n0.740503 0.026161 0.613117 Cs\n0.240503 0.973839 0.386883 Cs\n0.998918 0.499707 0.250318 Cs\n0.498918 0.500293 0.749682 Cs\n0.122402 0.599324 0.725334 Re\n0.622402 0.400676 0.274666 Re\n0.879906 0.398038 0.774913 Re\n0.379906 0.601962 0.225087 Re\n0.043138 0.384965 0.652015 Re\n0.543138 0.615035 0.347985 Re\n0.959917 0.614010 0.848945 Re\n0.459917 0.385990 0.151055 Re\n0.053054 0.362531 0.886515 Re\n0.553054 0.637469 0.113485 Re\n0.949867 0.636702 0.612261 Re\n0.449867 0.363298 0.387739 Re\n0.974779 0.177450 0.807588 S\n0.474779 0.822550 0.192412 S\n0.024594 0.823865 0.691975 S\n0.524594 0.176135 0.308025 S\n0.121045 0.571211 0.942754 S\n0.621045 0.428789 0.057246 S\n0.878101 0.429540 0.556655 S\n0.378101 0.570460 0.443345 S\n0.896767 0.387532 0.988754 S\n0.396767 0.612468 0.011246 S\n0.102535 0.612999 0.511402 S\n0.602535 0.387001 0.488598 S\n0.201286 0.360414 0.762243 S\n0.701286 0.639586 0.237757 S\n0.281050 0.738448 0.690268 Cl\n0.781050 0.261552 0.309732 Cl\n0.720140 0.263185 0.809032 Cl\n0.220140 0.736815 0.190968 Cl\n0.114862 0.179468 0.068942 Cl\n0.614862 0.820532 0.931058 Cl\n0.886043 0.818679 0.433599 Cl\n0.386043 0.181321 0.566401 Cl\n0.094094 0.233567 0.522250 Cl\n0.594094 0.766433 0.477750 Cl\n0.906675 0.765179 0.975613 Cl\n0.406675 0.234821 0.024387 Cl\n0.790952 0.643223 0.737558 Cl\n0.290952 0.356777 0.262442 Cl\n",
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{
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{
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{
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"structure_string": "Li12 Mn6 V2 P12 O48\n1.0\n8.757801 0.000000 0.000000\n0.000000 8.704876 0.000000\n0.000000 0.272849 12.307313\nLi Mn V P O\n12 6 2 12 48\ndirect\n0.080542 0.325705 0.053635 Li\n0.694326 0.323824 0.991513 Li\n0.772163 0.458101 0.568858 Li\n0.272163 0.541899 0.431142 Li\n0.194326 0.676176 0.008487 Li\n0.580542 0.674295 0.946365 Li\n0.415031 0.827560 0.551114 Li\n0.805271 0.831353 0.484205 Li\n0.718817 0.959033 0.074903 Li\n0.218817 0.040967 0.925097 Li\n0.305271 0.168647 0.515795 Li\n0.915031 0.172440 0.448886 Li\n0.458087 0.494436 0.641128 Mn\n0.958087 0.505564 0.358872 Mn\n0.040472 0.996109 0.141439 Mn\n0.540472 0.003891 0.858561 Mn\n0.963554 0.998169 0.646652 Mn\n0.463554 0.001831 0.353348 Mn\n0.530297 0.495381 0.143848 V\n0.030297 0.504619 0.856152 V\n0.252494 0.287954 0.259967 P\n0.379720 0.352402 0.901182 P\n0.097222 0.349612 0.603406 P\n0.597222 0.650388 0.396594 P\n0.879720 0.647598 0.098818 P\n0.752494 0.712046 0.740033 P\n0.247822 0.789192 0.753388 P\n0.118043 0.855149 0.392219 P\n0.401605 0.851753 0.094108 P\n0.901605 0.148247 0.905892 P\n0.618043 0.144851 0.607781 P\n0.747822 0.210808 0.246612 P\n0.863877 0.293494 0.318544 O\n0.897143 0.330481 0.901400 O\n0.678578 0.323116 0.157040 O\n0.597181 0.317008 0.579593 O\n0.381445 0.359817 0.183175 O\n0.209149 0.398380 0.931732 O\n0.408276 0.392258 0.783523 O\n0.970436 0.392691 0.521104 O\n0.255372 0.401207 0.561170 O\n0.180582 0.422206 0.317665 O\n0.057468 0.417820 0.715439 O\n0.497412 0.442372 0.974595 O\n0.997412 0.557628 0.025405 O\n0.557468 0.582180 0.284561 O\n0.680582 0.577794 0.682335 O\n0.755372 0.598793 0.438830 O\n0.908276 0.607742 0.216477 O\n0.709149 0.601620 0.068268 O\n0.470436 0.607309 0.478896 O\n0.881445 0.640183 0.816825 O\n0.178578 0.676884 0.842960 O\n0.397143 0.669519 0.098600 O\n0.097181 0.682992 0.420407 O\n0.363877 0.706506 0.681456 O\n0.644597 0.793058 0.818159 O\n0.897182 0.820781 0.072825 O\n0.608416 0.830326 0.392107 O\n0.822665 0.821170 0.652583 O\n0.125354 0.852141 0.673881 O\n0.524848 0.888300 0.004291 O\n0.286278 0.896636 0.427920 O\n0.104594 0.881612 0.267942 O\n0.240109 0.896591 0.054193 O\n0.322578 0.920632 0.816035 O\n0.453373 0.923822 0.197944 O\n0.997625 0.950645 0.453576 O\n0.497625 0.049355 0.546424 O\n0.953373 0.076178 0.802056 O\n0.822578 0.079368 0.183965 O\n0.740109 0.103409 0.945807 O\n0.024848 0.111700 0.995709 O\n0.604594 0.118388 0.732058 O\n0.786278 0.103364 0.572080 O\n0.625354 0.147859 0.326119 O\n0.397182 0.179219 0.927175 O\n0.322665 0.178830 0.347417 O\n0.108416 0.169674 0.607893 O\n0.144597 0.206942 0.181841 O\n",
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]
}