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{
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{
"id": "mp-866097",
"created_at": "2022-09-04T14:43:19.164596Z",
"structure_string": "Cu2 H12 Br2 N4\n1.0\n6.435825 3.337927 0.000000\n-6.435825 3.337927 0.000000\n0.000000 2.419102 5.277651\nCu H Br N\n2 12 2 4\ndirect\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.588815 0.819958 0.287083 H\n0.180042 0.411185 0.212917 H\n0.598264 0.854911 0.991715 H\n0.145089 0.401736 0.508285 H\n0.911016 0.288322 0.412473 H\n0.711678 0.088984 0.087527 H\n0.288322 0.911016 0.912473 H\n0.088984 0.711678 0.587527 H\n0.854911 0.598264 0.491715 H\n0.401736 0.145089 0.008285 H\n0.819958 0.588815 0.787083 H\n0.411185 0.180042 0.712917 H\n0.363360 0.636640 0.750000 Br\n0.636640 0.363360 0.250000 Br\n0.695165 0.936160 0.099867 N\n0.063840 0.304835 0.400133 N\n0.936160 0.695164 0.599867 N\n0.304835 0.063840 0.900133 N\n",
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{
"id": "mp-707792",
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"structure_string": "H12 Ru18 C48 S6 O48\n1.0\n11.528510 0.000000 0.000000\n-5.665530 -11.495247 0.000000\n-5.727850 1.742754 -18.210939\nH Ru C S O\n12 18 48 6 48\ndirect\n0.396747 0.185710 0.360380 H\n0.603253 0.814290 0.639620 H\n0.755455 0.525600 0.190989 H\n0.244545 0.474400 0.809011 H\n0.879669 0.155788 0.239739 H\n0.120331 0.844212 0.760261 H\n0.643224 0.226006 0.412505 H\n0.356776 0.773994 0.587495 H\n0.676585 0.955161 0.190327 H\n0.323415 0.044839 0.809673 H\n0.616375 0.443317 0.076511 H\n0.383625 0.556683 0.923489 H\n0.703944 0.098772 0.182679 Ru\n0.296056 0.901228 0.817321 Ru\n0.654417 0.914003 0.282451 Ru\n0.345583 0.085997 0.717549 Ru\n0.886969 0.126035 0.334712 Ru\n0.113031 0.873965 0.665288 Ru\n0.502730 0.151094 0.328239 Ru\n0.497270 0.848906 0.671761 Ru\n0.417370 0.334739 0.332825 Ru\n0.582630 0.665261 0.667175 Ru\n0.686331 0.381284 0.408596 Ru\n0.313669 0.618716 0.591404 Ru\n0.723985 0.390874 0.048984 Ru\n0.276015 0.609126 0.951016 Ru\n0.898712 0.500776 0.187398 Ru\n0.101288 0.499224 0.812602 Ru\n0.601239 0.390954 0.159238 Ru\n0.398761 0.609046 0.840762 Ru\n0.785785 0.086894 0.112586 C\n0.214215 0.913106 0.887414 C\n0.528730 0.036902 0.112642 C\n0.471270 0.963098 0.887358 C\n0.466192 0.811496 0.234695 C\n0.533808 0.188504 0.765305 C\n0.734865 0.816970 0.268050 C\n0.265135 0.183030 0.731950 C\n0.649723 0.870008 0.377813 C\n0.350277 0.129992 0.622187 C\n0.913945 0.109667 0.437059 C\n0.086055 0.890333 0.562941 C\n0.000234 0.056290 0.329670 C\n0.999766 0.943710 0.670330 C\n0.016692 0.286816 0.345801 C\n0.983308 0.713184 0.654199 C\n0.357763 0.055978 0.246158 C\n0.642237 0.944022 0.753842 C\n0.443960 0.025131 0.385903 C\n0.556040 0.974869 0.614097 C\n0.352651 0.325914 0.414880 C\n0.647349 0.674086 0.585120 C\n0.249518 0.274368 0.253304 C\n0.750482 0.725632 0.746696 C\n0.448754 0.492467 0.326559 C\n0.551246 0.507533 0.673441 C\n0.658714 0.373642 0.502221 C\n0.341286 0.626358 0.497779 C\n0.861029 0.383267 0.441680 C\n0.138971 0.616733 0.558320 C\n0.751435 0.546623 0.409965 C\n0.248565 0.453377 0.590035 C\n0.564398 0.278632 0.978096 C\n0.435602 0.721368 0.021904 C\n0.847508 0.362780 0.015700 C\n0.152492 0.637220 0.984300 C\n0.754449 0.530091 0.999874 C\n0.245551 0.469909 0.000126 C\n0.053013 0.492212 0.175213 C\n0.946987 0.507788 0.824787 C\n0.975673 0.548256 0.290885 C\n0.024327 0.451744 0.709115 C\n0.950423 0.655343 0.158653 C\n0.049577 0.344657 0.841347 C\n0.427388 0.265948 0.114035 C\n0.572612 0.734052 0.885965 C\n0.527947 0.497502 0.158076 C\n0.472053 0.502498 0.841924 C\n0.656605 0.095413 0.295548 S\n0.343395 0.904587 0.704452 S\n0.578062 0.336237 0.279836 S\n0.421938 0.663763 0.720164 S\n0.740485 0.299098 0.157955 S\n0.259515 0.700902 0.842045 S\n0.837727 0.077953 0.071785 O\n0.162273 0.922047 0.928215 O\n0.422198 0.994619 0.069125 O\n0.577802 0.005381 0.930875 O\n0.352266 0.751915 0.205273 O\n0.647734 0.248085 0.794727 O\n0.782300 0.758696 0.257405 O\n0.217700 0.241304 0.742595 O\n0.647092 0.846675 0.436749 O\n0.352908 0.153325 0.563251 O\n0.930379 0.100854 0.499200 O\n0.069621 0.899146 0.500800 O\n0.069493 0.014289 0.326474 O\n0.930507 0.985711 0.673526 O\n0.100528 0.380820 0.346960 O\n0.899472 0.619180 0.653040 O\n0.267399 0.995320 0.197260 O\n0.732601 0.004680 0.802740 O\n0.402560 0.945828 0.418742 O\n0.597440 0.054172 0.581258 O\n0.316048 0.322500 0.465465 O\n0.683952 0.677500 0.534535 O\n0.149473 0.239033 0.204765 O\n0.850527 0.760967 0.795235 O\n0.470042 0.589697 0.323391 O\n0.529958 0.410303 0.676609 O\n0.644302 0.369845 0.559701 O\n0.355698 0.630155 0.440299 O\n0.961874 0.376346 0.466991 O\n0.038126 0.623654 0.533009 O\n0.794706 0.647038 0.409339 O\n0.205294 0.352962 0.590661 O\n0.466661 0.211008 0.935722 O\n0.533339 0.788992 0.064278 O\n0.922884 0.346877 0.994245 O\n0.077116 0.653123 0.005755 O\n0.769427 0.614523 0.970933 O\n0.230573 0.385477 0.029067 O\n0.145403 0.486490 0.166400 O\n0.854597 0.513510 0.833600 O\n0.027188 0.587417 0.351672 O\n0.972812 0.412583 0.648328 O\n0.977549 0.749208 0.141609 O\n0.022451 0.250792 0.858391 O\n0.321382 0.189841 0.086229 O\n0.678618 0.810159 0.913771 O\n0.484029 0.562710 0.159997 O\n0.515971 0.437290 0.840003 O\n",
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"elements": [
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"formula_full": "H12 Ru18 C48 S6 O48",
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},
{
"id": "mp-1235976",
"created_at": "2022-09-04T14:48:29.249418Z",
"structure_string": "Li1 Ho2 O3\n1.0\n3.345793 0.000000 0.000000\n-1.672897 2.897542 0.000000\n0.000000 0.000000 7.868941\nLi Ho O\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.819815 Ho\n0.333333 0.666667 0.180185 Ho\n0.666667 0.333333 0.332919 O\n0.333333 0.666667 0.667081 O\n0.000000 0.000000 0.000000 O\n",
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{
"id": "mp-1229278",
"created_at": "2022-09-04T14:44:58.182198Z",
"structure_string": "Al4 H50 S7 O52\n1.0\n7.438554 0.000000 0.000000\n3.309212 12.099151 0.000000\n3.180199 4.273493 11.688494\nAl H S O\n4 50 7 52\ndirect\n0.859677 0.011510 0.272642 Al\n0.140323 0.988490 0.727358 Al\n0.278395 0.431966 0.850723 Al\n0.721605 0.568034 0.149277 Al\n0.441874 0.218697 0.911337 H\n0.558126 0.781303 0.088663 H\n0.676187 0.083248 0.094765 H\n0.323813 0.916752 0.905235 H\n0.439346 0.259799 0.770507 H\n0.560654 0.740201 0.229493 H\n0.637724 0.439276 0.784768 H\n0.362276 0.560724 0.215232 H\n0.882268 0.115339 0.056731 H\n0.117732 0.884661 0.943269 H\n0.625005 0.575818 0.531718 H\n0.374995 0.424182 0.468282 H\n0.780618 0.450325 0.577629 H\n0.219382 0.549675 0.422371 H\n0.181551 0.049408 0.138040 H\n0.818449 0.950592 0.861960 H\n0.494431 0.365481 0.999155 H\n0.505569 0.634519 0.000845 H\n0.072375 0.511445 0.696506 H\n0.927625 0.488555 0.303494 H\n0.639924 0.211476 0.274816 H\n0.360076 0.788524 0.725184 H\n0.205012 0.610272 0.915939 H\n0.794988 0.389728 0.084061 H\n0.516391 0.569042 0.770255 H\n0.483609 0.430958 0.229745 H\n0.497184 0.026890 0.348209 H\n0.502816 0.973110 0.651791 H\n0.053999 0.633832 0.832428 H\n0.946001 0.366168 0.167572 H\n0.280715 0.540069 0.638116 H\n0.719285 0.459931 0.361884 H\n0.754755 0.159587 0.380579 H\n0.245245 0.840413 0.619421 H\n0.832150 0.912006 0.493795 H\n0.167850 0.087994 0.506205 H\n0.804102 0.579255 0.587275 H\n0.195898 0.420745 0.412725 H\n0.048665 0.799916 0.307659 H\n0.951335 0.200084 0.692341 H\n0.983288 0.843290 0.184362 H\n0.016712 0.156710 0.815638 H\n0.287599 0.337849 0.070177 H\n0.712401 0.662151 0.929823 H\n0.052314 0.905629 0.440625 H\n0.947686 0.094371 0.559375 H\n0.575508 0.895389 0.340551 H\n0.424492 0.104611 0.659449 H\n0.115934 0.134567 0.216039 H\n0.884066 0.865433 0.783961 H\n0.739714 0.734007 0.702224 S\n0.260286 0.265993 0.297776 S\n0.900997 0.330820 0.906082 S\n0.099003 0.669180 0.093918 S\n0.500000 0.000000 0.000000 S\n0.655455 0.269826 0.560930 S\n0.344545 0.730174 0.439070 S\n0.098043 0.060450 0.212934 O\n0.901957 0.939550 0.787066 O\n0.576967 0.377496 0.467651 O\n0.423033 0.622504 0.532349 O\n0.857466 0.392420 0.788713 O\n0.142534 0.607580 0.211287 O\n0.733592 0.349388 0.993466 O\n0.266408 0.650612 0.006534 O\n0.961419 0.860775 0.257025 O\n0.038581 0.139225 0.742975 O\n0.611846 0.968982 0.335115 O\n0.388154 0.031018 0.664885 O\n0.796319 0.075184 0.125982 O\n0.203681 0.924816 0.874018 O\n0.048554 0.383351 0.922576 O\n0.951446 0.616649 0.077424 O\n0.356993 0.382162 0.995237 O\n0.643007 0.617838 0.004763 O\n0.402513 0.282860 0.840587 O\n0.597487 0.717140 0.159413 O\n0.921856 0.946036 0.423211 O\n0.078144 0.053964 0.576789 O\n0.838183 0.725367 0.795558 O\n0.161817 0.274633 0.204442 O\n0.704555 0.858232 0.624375 O\n0.295445 0.141768 0.375625 O\n0.553519 0.695995 0.757122 O\n0.446481 0.304005 0.242878 O\n0.766900 0.538910 0.541326 O\n0.233100 0.461090 0.458674 O\n0.860635 0.655051 0.639770 O\n0.139365 0.344949 0.360230 O\n0.971798 0.203665 0.926445 O\n0.028202 0.796335 0.073555 O\n0.756779 0.176808 0.511192 O\n0.243221 0.823192 0.488808 O\n0.786859 0.304701 0.607627 O\n0.213141 0.695299 0.392373 O\n0.207344 0.483988 0.702541 O\n0.792656 0.516012 0.297459 O\n0.496177 0.226773 0.651717 O\n0.503823 0.773227 0.348283 O\n0.753948 0.154666 0.305313 O\n0.246052 0.845334 0.694687 O\n0.506783 0.488134 0.777070 O\n0.493217 0.511866 0.222930 O\n0.176105 0.586366 0.856337 O\n0.823895 0.413634 0.143663 O\n0.499949 0.107904 0.038461 O\n0.500051 0.892096 0.961539 O\n0.718431 0.985694 0.962577 O\n0.281569 0.014306 0.037423 O\n",
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{
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"structure_string": "Te8 Mo2 W2\n1.0\n1.779780 -3.082670 0.000000\n1.779780 3.082670 0.000000\n0.000000 0.000000 40.107745\nTe Mo W\n8 2 2\ndirect\n0.333333 0.666667 0.951369 Te\n0.333333 0.666667 0.326927 Te\n0.666667 0.333333 0.673073 Te\n0.666667 0.333333 0.048631 Te\n0.666667 0.333333 0.763334 Te\n0.666667 0.333333 0.139239 Te\n0.333333 0.666667 0.860761 Te\n0.333333 0.666667 0.236666 Te\n0.333333 0.666667 0.718188 Mo\n0.666667 0.333333 0.281812 Mo\n0.333333 0.666667 0.093929 W\n0.666667 0.333333 0.906071 W\n",
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{
"id": "mp-1026635",
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"structure_string": "Cs1 Ba1 Mg14\n1.0\n7.057790 -0.000000 0.000000\n-3.528895 6.112225 0.000000\n0.000000 -0.000000 10.532473\nCs Ba Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Cs\n0.166667 0.333333 0.625000 Ba\n0.173236 0.836618 0.125000 Mg\n0.177974 0.838986 0.625000 Mg\n0.663382 0.326764 0.125000 Mg\n0.661014 0.322026 0.625000 Mg\n0.663382 0.836618 0.125000 Mg\n0.661014 0.838986 0.625000 Mg\n0.352847 0.147153 0.378531 Mg\n0.352847 0.147153 0.871469 Mg\n0.352847 0.705694 0.378531 Mg\n0.352847 0.705694 0.871469 Mg\n0.794306 0.147153 0.378531 Mg\n0.794306 0.147153 0.871469 Mg\n0.833333 0.666667 0.375648 Mg\n0.833333 0.666667 0.874352 Mg\n",
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{
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{
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{
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}