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{
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{
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{
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{
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{
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{
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"structure_string": "Ca32 Mn24 Al8 O88\n1.0\n10.824257 -0.016325 -0.060800\n-0.022623 15.228153 0.045775\n-0.059590 0.032394 10.760565\nCa Mn Al O\n32 24 8 88\ndirect\n0.010276 0.112635 0.500502 Ca\n0.021339 0.120764 0.991920 Ca\n0.021050 0.627842 0.501667 Ca\n0.023600 0.626142 0.995569 Ca\n0.522131 0.127400 0.505432 Ca\n0.525352 0.121649 0.975284 Ca\n0.520844 0.625305 0.499390 Ca\n0.527052 0.629404 0.996009 Ca\n0.496076 0.365729 0.005768 Ca\n0.476717 0.382500 0.509064 Ca\n0.499439 0.874587 0.978502 Ca\n0.481757 0.872484 0.508247 Ca\n0.970195 0.379724 0.001629 Ca\n0.974298 0.387027 0.508629 Ca\n0.982780 0.874804 0.011068 Ca\n0.973018 0.873081 0.507151 Ca\n0.229604 0.385018 0.257170 Ca\n0.239785 0.378637 0.744256 Ca\n0.227860 0.881244 0.242490 Ca\n0.239554 0.877703 0.758780 Ca\n0.729705 0.385249 0.249677 Ca\n0.727765 0.374906 0.752040 Ca\n0.739564 0.866814 0.242177 Ca\n0.726688 0.874913 0.742177 Ca\n0.248068 0.120100 0.251955 Ca\n0.273789 0.119621 0.735937 Ca\n0.265805 0.620936 0.257653 Ca\n0.256378 0.630897 0.747281 Ca\n0.755721 0.119479 0.255393 Ca\n0.765115 0.119258 0.754232 Ca\n0.777340 0.626365 0.255502 Ca\n0.777087 0.624321 0.757552 Ca\n0.997096 0.993722 0.254337 Mn\n0.998675 0.997921 0.754316 Mn\n0.998383 0.501976 0.252390 Mn\n0.006761 0.499073 0.753865 Mn\n0.496471 0.501721 0.247007 Mn\n0.505371 0.500548 0.742823 Mn\n0.258894 0.004209 0.003688 Mn\n0.248947 0.500254 0.501471 Mn\n0.751062 0.997529 0.994801 Mn\n0.742919 0.000036 0.500322 Mn\n0.748688 0.501166 0.004201 Mn\n0.751128 0.501177 0.498752 Mn\n0.253140 0.745204 0.998236 Mn\n0.250645 0.753915 0.496872 Mn\n0.753286 0.243371 0.004234 Mn\n0.752628 0.251183 0.504787 Mn\n0.752947 0.749415 0.998426 Mn\n0.751959 0.747871 0.500827 Mn\n0.992306 0.249099 0.755464 Mn\n0.004901 0.747398 0.252839 Mn\n0.001474 0.752217 0.750387 Mn\n0.499318 0.248890 0.743675 Mn\n0.506564 0.746981 0.254491 Mn\n0.499170 0.749059 0.747931 Mn\n0.510353 0.981536 0.227134 Al\n0.497807 0.999059 0.741456 Al\n0.230066 0.995705 0.514349 Al\n0.232975 0.493778 0.016956 Al\n0.251647 0.253793 0.954914 Al\n0.270545 0.240796 0.469926 Al\n0.985767 0.265340 0.283785 Al\n0.518300 0.261475 0.272328 Al\n0.116748 0.767327 0.113576 O\n0.103979 0.770396 0.600419 O\n0.561241 0.242374 0.117942 O\n0.605946 0.275975 0.603352 O\n0.602171 0.768897 0.102162 O\n0.599357 0.762983 0.600146 O\n0.392489 0.216650 0.356082 O\n0.395872 0.229373 0.886895 O\n0.390924 0.727483 0.389810 O\n0.401549 0.733283 0.899288 O\n0.899203 0.228126 0.411539 O\n0.900534 0.233562 0.900845 O\n0.897449 0.729186 0.397397 O\n0.897027 0.727893 0.896422 O\n0.136345 0.232069 0.337319 O\n0.153318 0.234585 0.823355 O\n0.148395 0.728151 0.354205 O\n0.144347 0.735827 0.851695 O\n0.653480 0.233406 0.356879 O\n0.646543 0.232325 0.853252 O\n0.653216 0.727727 0.357781 O\n0.646446 0.730903 0.850507 O\n0.359373 0.263512 0.625603 O\n0.349717 0.769872 0.646208 O\n0.893303 0.243941 0.149190 O\n0.861037 0.278718 0.644192 O\n0.859285 0.768133 0.142750 O\n0.855074 0.772384 0.646900 O\n0.360247 0.477272 0.133557 O\n0.357147 0.479586 0.642735 O\n0.366021 0.014099 0.163238 O\n0.359631 0.989551 0.627022 O\n0.854372 0.480026 0.148252 O\n0.858189 0.479486 0.649716 O\n0.855956 0.983955 0.145082 O\n0.858782 0.979647 0.646132 O\n0.139110 0.015613 0.363832 O\n0.149478 0.025188 0.863044 O\n0.148779 0.515621 0.352756 O\n0.163169 0.512621 0.859167 O\n0.590027 0.037573 0.345652 O\n0.643156 0.012881 0.852464 O\n0.646077 0.521356 0.349905 O\n0.637332 0.520895 0.862086 O\n0.394275 0.015548 0.888381 O\n0.392621 0.517232 0.394846 O\n0.881264 0.025556 0.383877 O\n0.894905 0.021687 0.895439 O\n0.900074 0.523052 0.396835 O\n0.899693 0.513200 0.898562 O\n0.100259 0.475563 0.111377 O\n0.109856 0.479782 0.606976 O\n0.108407 0.998000 0.113402 O\n0.101670 0.980027 0.613832 O\n0.602689 0.479542 0.107747 O\n0.612444 0.481461 0.599574 O\n0.609885 0.977289 0.098929 O\n0.603531 0.983611 0.602392 O\n0.004977 0.379048 0.290818 O\n0.021169 0.373444 0.783644 O\n0.008902 0.868115 0.287131 O\n0.017296 0.876392 0.797505 O\n0.500044 0.376352 0.287702 O\n0.497017 0.377581 0.790417 O\n0.488813 0.871426 0.278242 O\n0.502915 0.874401 0.769699 O\n0.499219 0.125531 0.717300 O\n0.480797 0.626144 0.205989 O\n0.475735 0.623233 0.722469 O\n0.988703 0.128681 0.710104 O\n0.996051 0.622233 0.209025 O\n0.999198 0.624470 0.717278 O\n0.210895 0.176019 0.064766 O\n0.238416 0.126073 0.517452 O\n0.253615 0.617961 0.032291 O\n0.239689 0.623858 0.536060 O\n0.737547 0.120781 0.037139 O\n0.738253 0.128192 0.541383 O\n0.741988 0.625799 0.038851 O\n0.743808 0.624294 0.543486 O\n0.246726 0.363216 0.469250 O\n0.257038 0.367962 0.985906 O\n0.262964 0.879899 0.457570 O\n0.282374 0.868192 0.005206 O\n0.763586 0.377168 0.458216 O\n0.748498 0.369656 0.982767 O\n0.751326 0.875512 0.457585 O\n0.763541 0.874140 0.958885 O\n",
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"elements": [
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],
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"formula_full": "Ca32 Mn24 Al8 O88",
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},
{
"id": "mp-1232183",
"created_at": "2022-09-04T14:41:20.230022Z",
"structure_string": "Pr8 Mg4 Se16\n1.0\n6.977837 0.000000 0.000000\n0.000000 8.626613 0.000000\n0.000000 0.000000 14.720789\nPr Mg Se\n8 4 16\ndirect\n0.500000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.500000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000211 0.750000 0.232655 Pr\n0.999789 0.250000 0.767345 Pr\n0.500211 0.250000 0.267345 Pr\n0.499789 0.750000 0.732655 Pr\n0.918512 0.250000 0.092234 Mg\n0.081488 0.750000 0.907766 Mg\n0.418512 0.750000 0.407766 Mg\n0.581488 0.250000 0.592234 Mg\n0.748294 0.014946 0.168221 Se\n0.251706 0.985054 0.831779 Se\n0.248294 0.985054 0.331779 Se\n0.751706 0.014946 0.668221 Se\n0.751706 0.485054 0.668221 Se\n0.248294 0.514946 0.331779 Se\n0.251706 0.514946 0.831779 Se\n0.748294 0.485054 0.168221 Se\n0.243176 0.750000 0.068028 Se\n0.756824 0.250000 0.931972 Se\n0.743176 0.250000 0.431972 Se\n0.256824 0.750000 0.568028 Se\n0.282826 0.250000 0.092273 Se\n0.717174 0.750000 0.907727 Se\n0.782826 0.750000 0.407727 Se\n0.217174 0.250000 0.592273 Se\n",
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{
"id": "mp-505260",
"created_at": "2022-09-04T14:41:20.226061Z",
"structure_string": "Te20 Mo6 I20\n1.0\n11.190864 0.000000 0.000000\n4.347814 10.354537 0.000000\n4.405129 0.205668 17.601503\nTe Mo I\n20 6 20\ndirect\n0.942694 0.763816 0.725233 Te\n0.057306 0.236184 0.274767 Te\n0.720496 0.493308 0.719494 Te\n0.279504 0.506692 0.280506 Te\n0.877947 0.576173 0.601730 Te\n0.122053 0.423827 0.398270 Te\n0.822679 0.474688 0.898009 Te\n0.177321 0.525312 0.101991 Te\n0.048770 0.530457 0.871436 Te\n0.951230 0.469543 0.128564 Te\n0.539319 0.749855 0.858917 Te\n0.460681 0.250145 0.141083 Te\n0.609522 0.960434 0.820353 Te\n0.390478 0.039566 0.179647 Te\n0.666147 0.965340 0.627490 Te\n0.333853 0.034660 0.372510 Te\n0.181506 0.436515 0.646543 Te\n0.818494 0.563485 0.353457 Te\n0.925833 0.843270 0.925383 Te\n0.074167 0.156730 0.074617 Te\n0.713017 0.743595 0.720844 Mo\n0.286983 0.256405 0.279156 Mo\n0.935625 0.526211 0.750301 Mo\n0.064375 0.473789 0.249699 Mo\n0.795681 0.726849 0.860123 Mo\n0.204319 0.273151 0.139877 Mo\n0.484276 0.817592 0.651414 I\n0.515724 0.182408 0.348586 I\n0.800236 0.898376 0.476703 I\n0.199764 0.101624 0.523297 I\n0.818104 0.107090 0.654320 I\n0.181896 0.892910 0.345680 I\n0.067904 0.245741 0.736324 I\n0.932096 0.754259 0.263676 I\n0.388776 0.379469 0.722570 I\n0.611224 0.620531 0.277430 I\n0.228959 0.643254 0.555003 I\n0.771041 0.356746 0.444997 I\n0.695317 0.778498 0.022418 I\n0.304683 0.221502 0.977582 I\n0.785272 0.112768 0.926716 I\n0.214728 0.887232 0.073284 I\n0.162933 0.844905 0.820680 I\n0.837067 0.155095 0.179320 I\n0.546215 0.448608 0.885033 I\n0.453785 0.551392 0.114967 I\n",
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],
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{
"id": "mp-1224957",
"created_at": "2022-09-04T14:41:20.248653Z",
"structure_string": "Fe6 Mo12 Rh2 N4\n1.0\n6.691423 0.000000 0.000000\n0.000000 6.675240 0.000000\n0.000000 0.027729 6.700345\nFe Mo Rh N\n6 12 2 4\ndirect\n0.820231 0.678890 0.569272 Fe\n0.320231 0.321110 0.430728 Fe\n0.069139 0.563519 0.328795 Fe\n0.430126 0.076260 0.194238 Fe\n0.569139 0.436481 0.671205 Fe\n0.930126 0.923740 0.805762 Fe\n0.623763 0.046939 0.545205 Mo\n0.123763 0.953061 0.454795 Mo\n0.875731 0.551971 0.953304 Mo\n0.375731 0.448029 0.046696 Mo\n0.203817 0.620413 0.697724 Mo\n0.295126 0.127667 0.795194 Mo\n0.795126 0.872333 0.204806 Mo\n0.703817 0.379587 0.302276 Mo\n0.049973 0.208279 0.130011 Mo\n0.951075 0.298741 0.623405 Mo\n0.549973 0.791721 0.869989 Mo\n0.451075 0.701259 0.376595 Mo\n0.684133 0.184042 0.933309 Rh\n0.184133 0.815958 0.066691 Rh\n0.373713 0.874483 0.626634 N\n0.873713 0.125517 0.373366 N\n0.123173 0.375957 0.876528 N\n0.623173 0.624043 0.123472 N\n",
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],
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{
"id": "mp-17185",
"created_at": "2022-09-04T14:41:20.290341Z",
"structure_string": "Ca8 Si6 Pd8\n1.0\n2.852550 10.502255 0.000000\n-2.852550 10.502255 0.000000\n0.000000 2.583174 7.440940\nCa Si Pd\n8 6 8\ndirect\n0.935158 0.200515 0.326695 Ca\n0.064842 0.799485 0.673305 Ca\n0.799485 0.064842 0.173305 Ca\n0.456189 0.205362 0.905470 Ca\n0.794638 0.543811 0.594530 Ca\n0.205362 0.456189 0.405470 Ca\n0.200515 0.935158 0.826695 Ca\n0.543811 0.794638 0.094530 Ca\n0.304241 0.039389 0.435083 Si\n0.384691 0.615309 0.250000 Si\n0.039389 0.304241 0.935083 Si\n0.695759 0.960611 0.564917 Si\n0.960611 0.695759 0.064917 Si\n0.615309 0.384691 0.750000 Si\n0.574439 0.301927 0.524180 Pd\n0.698073 0.425561 0.975820 Pd\n0.301927 0.574439 0.024180 Pd\n0.425561 0.698073 0.475820 Pd\n0.641841 0.914267 0.318893 Pd\n0.914267 0.641841 0.818893 Pd\n0.358159 0.085733 0.681107 Pd\n0.085733 0.358159 0.181107 Pd\n",
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"formula_full": "Ca8 Si6 Pd8",
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}
]
}