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{
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{
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"structure_string": "K2 Al4 P4 H16 O24 F2\n1.0\n5.628874 0.000000 0.000000\n0.000000 9.436864 0.000000\n0.000000 0.000000 9.794082\nK Al P H O F\n2 4 4 16 24 2\ndirect\n0.920697 0.500000 0.500000 K\n0.920697 0.000000 0.000000 K\n0.963285 0.360188 0.111391 Al\n0.963285 0.639812 0.888609 Al\n0.963285 0.139812 0.611391 Al\n0.963285 0.860188 0.388609 Al\n0.713691 0.352095 0.825448 P\n0.713691 0.647905 0.174552 P\n0.713691 0.147905 0.325448 P\n0.713691 0.852095 0.674552 P\n0.295089 0.513522 0.226307 H\n0.295089 0.486478 0.773693 H\n0.295089 0.986478 0.726307 H\n0.295089 0.013522 0.273693 H\n0.319499 0.349808 0.273726 H\n0.319499 0.650192 0.726274 H\n0.319499 0.150192 0.773726 H\n0.319499 0.849808 0.226274 H\n0.322630 0.272691 0.962859 H\n0.322630 0.727309 0.037141 H\n0.322630 0.227309 0.462859 H\n0.322630 0.772691 0.537141 H\n0.350522 0.215873 0.118480 H\n0.350522 0.784127 0.881520 H\n0.350522 0.284127 0.618480 H\n0.350522 0.715873 0.381520 H\n0.882564 0.289888 0.716908 O\n0.882564 0.710112 0.283092 O\n0.882564 0.210112 0.216908 O\n0.882564 0.789888 0.783092 O\n0.779303 0.292387 0.967964 O\n0.779303 0.707613 0.032036 O\n0.779303 0.207613 0.467964 O\n0.779303 0.792387 0.532036 O\n0.741016 0.515220 0.820073 O\n0.741016 0.484780 0.179927 O\n0.741016 0.984780 0.320073 O\n0.741016 0.015220 0.679927 O\n0.203026 0.426466 0.250484 O\n0.203026 0.573534 0.749516 O\n0.203026 0.073534 0.750484 O\n0.203026 0.926466 0.249516 O\n0.234993 0.236126 0.044233 O\n0.234993 0.763874 0.955767 O\n0.234993 0.263874 0.544233 O\n0.234993 0.736126 0.455767 O\n0.449893 0.314756 0.794825 O\n0.449893 0.685244 0.205175 O\n0.449893 0.185244 0.294825 O\n0.449893 0.814756 0.705175 O\n0.096280 0.500000 0.000000 F\n0.096280 0.000000 0.500000 F\n",
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{
"id": "mp-1178088",
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"structure_string": "Li12 Cr3 Ni1 P4 C4 O28\n1.0\n6.462550 0.000000 0.000000\n0.000000 8.618574 0.000000\n0.000000 0.799785 9.963165\nLi Cr Ni P C O\n12 3 1 4 4 28\ndirect\n0.000000 0.903085 0.612942 Li\n0.000000 0.893792 0.117876 Li\n0.227186 0.726636 0.871459 Li\n0.772814 0.726636 0.871459 Li\n0.228926 0.726845 0.372087 Li\n0.771074 0.726845 0.372087 Li\n0.725001 0.273334 0.624904 Li\n0.274999 0.273334 0.624904 Li\n0.727252 0.272412 0.129356 Li\n0.272748 0.272412 0.129356 Li\n0.500000 0.103608 0.884759 Li\n0.500000 0.104863 0.383805 Li\n0.500000 0.665642 0.603321 Cr\n0.500000 0.664008 0.107390 Cr\n0.000000 0.332239 0.894156 Cr\n0.000000 0.333013 0.398840 Ni\n0.000000 0.588169 0.636381 P\n0.000000 0.582921 0.142653 P\n0.500000 0.410958 0.860359 P\n0.500000 0.410143 0.360983 P\n0.500000 0.967972 0.648034 C\n0.500000 0.967629 0.148291 C\n0.000000 0.029614 0.852370 C\n0.000000 0.043072 0.350282 C\n0.500000 0.942342 0.522967 O\n0.000000 0.888879 0.813476 O\n0.500000 0.939722 0.023737 O\n0.500000 0.848695 0.738442 O\n0.000000 0.899565 0.318310 O\n0.500000 0.850014 0.240250 O\n0.186608 0.688550 0.580358 O\n0.813392 0.688550 0.580358 O\n0.186032 0.686375 0.090581 O\n0.813968 0.686375 0.090581 O\n0.500000 0.578010 0.907341 O\n0.000000 0.578685 0.791990 O\n0.500000 0.578132 0.406262 O\n0.000000 0.563437 0.299336 O\n0.500000 0.420099 0.704767 O\n0.000000 0.421003 0.589512 O\n0.500000 0.419175 0.205085 O\n0.000000 0.420680 0.088708 O\n0.313421 0.311190 0.916755 O\n0.686579 0.311190 0.916755 O\n0.687802 0.311473 0.417112 O\n0.312198 0.311473 0.417112 O\n0.000000 0.148359 0.761529 O\n0.500000 0.108586 0.686485 O\n0.000000 0.158937 0.257446 O\n0.000000 0.055005 0.977287 O\n0.500000 0.108965 0.185142 O\n0.000000 0.077352 0.474263 O\n",
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{
"id": "mp-1200936",
"created_at": "2022-09-04T14:48:08.657089Z",
"structure_string": "Er2 Co2 H16 C12 N12 O8\n1.0\n3.653266 -6.370625 0.000000\n3.653266 6.370625 0.000000\n0.000000 0.000000 13.604927\nEr Co H C N O\n2 2 16 12 12 8\ndirect\n0.675332 0.324668 0.750000 Er\n0.324668 0.675332 0.250000 Er\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.448327 0.871277 0.808565 H\n0.871277 0.448327 0.191435 H\n0.448327 0.871277 0.691435 H\n0.871277 0.448327 0.308565 H\n0.551673 0.128723 0.191435 H\n0.128723 0.551673 0.808565 H\n0.551673 0.128723 0.308565 H\n0.128723 0.551673 0.691435 H\n0.313014 0.686986 0.963055 H\n0.686986 0.313014 0.036945 H\n0.313014 0.686986 0.536945 H\n0.686986 0.313014 0.463055 H\n0.415980 0.584020 0.898651 H\n0.584020 0.415980 0.101349 H\n0.415980 0.584020 0.601349 H\n0.584020 0.415980 0.398651 H\n0.868222 0.131778 0.939149 C\n0.131778 0.868222 0.060851 C\n0.868222 0.131778 0.560851 C\n0.131778 0.868222 0.439149 C\n0.228636 0.135611 0.913135 C\n0.135611 0.228636 0.086865 C\n0.228636 0.135611 0.586865 C\n0.135611 0.228636 0.413135 C\n0.771364 0.864389 0.086865 C\n0.864389 0.771364 0.913135 C\n0.771364 0.864389 0.413135 C\n0.864389 0.771364 0.586865 C\n0.786623 0.213377 0.899005 N\n0.213377 0.786623 0.100995 N\n0.786623 0.213377 0.600995 N\n0.213377 0.786623 0.399005 N\n0.374438 0.219619 0.860554 N\n0.219619 0.374438 0.139446 N\n0.374438 0.219619 0.639446 N\n0.219619 0.374438 0.360554 N\n0.625562 0.780381 0.139446 N\n0.780381 0.625562 0.860554 N\n0.625562 0.780381 0.360554 N\n0.780381 0.625562 0.639446 N\n0.510093 0.961702 0.750000 O\n0.961702 0.510093 0.250000 O\n0.489907 0.038298 0.250000 O\n0.038298 0.489907 0.750000 O\n0.339269 0.660731 0.895348 O\n0.660731 0.339269 0.104652 O\n0.339269 0.660731 0.604652 O\n0.660731 0.339269 0.395348 O\n",
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{
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"formula_full": "Li12 Mn4 Fe4 Co4 P12 O48",
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},
{
"id": "mp-1203169",
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"structure_string": "U2 H26 C6 N12 Cl2 O20\n1.0\n7.368815 0.000000 0.000000\n-3.479907 9.939422 0.000000\n-2.669733 -3.497586 10.447576\nU H C N Cl O\n2 26 6 12 2 20\ndirect\n0.445891 0.416890 0.133583 U\n0.554109 0.583110 0.866417 U\n0.274010 0.312945 0.855399 H\n0.725990 0.687055 0.144601 H\n0.824201 0.040664 0.065956 H\n0.175799 0.959336 0.934044 H\n0.643162 0.090107 0.982329 H\n0.356838 0.909893 0.017671 H\n0.998180 0.363101 0.920486 H\n0.001820 0.636899 0.079514 H\n0.739055 0.274392 0.898362 H\n0.260945 0.725608 0.101638 H\n0.053365 0.754313 0.392600 H\n0.946635 0.245687 0.607400 H\n0.233681 0.678850 0.399903 H\n0.766319 0.321150 0.600097 H\n0.861590 0.326511 0.297054 H\n0.138410 0.673489 0.702946 H\n0.119829 0.429638 0.337489 H\n0.880171 0.570362 0.662511 H\n0.350635 0.108323 0.199737 H\n0.649365 0.891677 0.800263 H\n0.398732 0.058692 0.337365 H\n0.601268 0.941308 0.662635 H\n0.392757 0.362112 0.536345 H\n0.607243 0.637888 0.463655 H\n0.384088 0.194606 0.524997 H\n0.615912 0.805394 0.475003 H\n0.936767 0.203320 0.997936 C\n0.063233 0.796680 0.002064 C\n0.932423 0.539300 0.338221 C\n0.067577 0.460700 0.661779 C\n0.384117 0.254113 0.364030 C\n0.615883 0.745887 0.635970 C\n0.785772 0.091499 0.003832 N\n0.214228 0.908501 0.996168 N\n0.886623 0.289767 0.937964 N\n0.113377 0.710233 0.062036 N\n0.085642 0.667133 0.372907 N\n0.914358 0.332867 0.627093 N\n0.976227 0.423997 0.327302 N\n0.023773 0.576003 0.672698 N\n0.374497 0.130136 0.295052 N\n0.625503 0.869864 0.704948 N\n0.421789 0.279814 0.492013 N\n0.578211 0.720186 0.507987 N\n0.246614 0.030559 0.686802 Cl\n0.753386 0.969441 0.313198 Cl\n0.122222 0.221263 0.045944 O\n0.877778 0.778737 0.954056 O\n0.748470 0.529122 0.317182 O\n0.251530 0.470878 0.682818 O\n0.365447 0.348846 0.314058 O\n0.634553 0.651154 0.685942 O\n0.315022 0.406157 0.917991 O\n0.684978 0.593843 0.082009 O\n0.541740 0.281606 0.088835 O\n0.458260 0.718394 0.911165 O\n0.343158 0.546663 0.182788 O\n0.656842 0.453337 0.817212 O\n0.099275 0.889452 0.667389 O\n0.900725 0.110548 0.332611 O\n0.404234 0.082218 0.812562 O\n0.595766 0.917782 0.187438 O\n0.343837 0.024927 0.586986 O\n0.656163 0.975073 0.413014 O\n0.145950 0.128854 0.680778 O\n0.854050 0.871146 0.319222 O\n",
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{
"id": "mp-1214060",
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"structure_string": "Ca2 Mg10 P6 H2 C2 O32\n1.0\n6.385735 0.000000 0.000000\n-0.483002 8.760255 0.000000\n-2.085152 -1.056729 10.680277\nCa Mg P H C O\n2 10 6 2 2 32\ndirect\n0.122486 0.317700 0.561677 Ca\n0.877514 0.682300 0.438323 Ca\n0.090505 0.818711 0.169743 Mg\n0.909495 0.181289 0.830257 Mg\n0.326219 0.527028 0.113500 Mg\n0.673781 0.472972 0.886500 Mg\n0.310752 0.036006 0.400423 Mg\n0.689248 0.963994 0.599577 Mg\n0.586503 0.352305 0.317251 Mg\n0.413497 0.647695 0.682749 Mg\n0.674728 0.136202 0.047684 Mg\n0.325272 0.863798 0.952316 Mg\n0.799512 0.032694 0.329805 P\n0.200488 0.967306 0.670195 P\n0.214748 0.156778 0.108764 P\n0.785252 0.843222 0.891236 P\n0.369446 0.669459 0.425440 P\n0.630554 0.330541 0.574560 P\n0.509233 0.788439 0.163815 H\n0.490767 0.211561 0.836185 H\n0.152529 0.482351 0.836412 C\n0.847471 0.517649 0.163588 C\n0.009467 0.110607 0.412204 O\n0.990533 0.889393 0.587796 O\n0.438754 0.266811 0.465070 O\n0.561246 0.733189 0.534930 O\n0.367053 0.003299 0.588097 O\n0.632947 0.996701 0.411903 O\n0.324977 0.314570 0.171335 O\n0.675023 0.685430 0.828665 O\n0.239462 0.795607 0.362834 O\n0.760538 0.204393 0.637166 O\n0.219232 0.579167 0.495799 O\n0.780768 0.420833 0.504201 O\n0.463282 0.571925 0.327521 O\n0.536718 0.428075 0.672479 O\n0.703535 0.150223 0.238021 O\n0.296465 0.849777 0.761979 O\n0.676500 0.492659 0.077667 O\n0.323500 0.507341 0.922333 O\n0.161987 0.123197 0.738517 O\n0.838013 0.876803 0.261483 O\n0.206511 0.046754 0.211084 O\n0.793489 0.953246 0.788916 O\n0.020125 0.582422 0.138309 O\n0.979875 0.417578 0.861691 O\n0.369206 0.754932 0.112372 O\n0.630794 0.245068 0.887628 O\n0.156857 0.518507 0.725297 O\n0.843143 0.481493 0.274703 O\n0.348684 0.089842 0.016070 O\n0.651316 0.910158 0.983931 O\n0.988430 0.176098 0.032803 O\n0.011570 0.823902 0.967197 O\n",
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}
]
}