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{
"id": "mp-10188",
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{
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"structure_string": "Li9 Cr4 P4 C4 O28\n1.0\n8.178994 0.000000 0.000000\n-1.950229 7.994750 0.000000\n-2.564801 -3.379577 8.377331\nLi Cr P C O\n9 4 4 4 28\ndirect\n0.435180 0.679908 0.894605 Li\n0.939202 0.178762 0.896393 Li\n0.495325 0.961063 0.718903 Li\n0.001951 0.465623 0.718714 Li\n0.796584 0.739116 0.287169 Li\n0.279776 0.256199 0.271527 Li\n0.511277 0.032742 0.272643 Li\n0.559816 0.305939 0.092269 Li\n0.057830 0.808389 0.103637 Li\n0.061144 0.812042 0.674526 Cr\n0.560935 0.314585 0.674080 Cr\n0.937588 0.190886 0.325047 Cr\n0.432948 0.684365 0.325482 Cr\n0.799894 0.055601 0.580737 P\n0.303840 0.552453 0.581381 P\n0.696295 0.440122 0.417356 P\n0.198312 0.951676 0.413636 P\n0.752691 0.510143 0.952924 C\n0.265541 0.005385 0.971390 C\n0.736930 0.996904 0.046026 C\n0.240880 0.491874 0.043829 C\n0.125571 0.876436 0.950274 O\n0.609438 0.369865 0.917574 O\n0.620247 0.903971 0.908488 O\n0.792168 0.520136 0.829119 O\n0.122530 0.402696 0.905986 O\n0.297881 0.024031 0.847882 O\n0.913204 0.983977 0.689079 O\n0.427566 0.486136 0.691674 O\n0.706827 0.149315 0.688985 O\n0.214032 0.641869 0.692331 O\n0.848003 0.568469 0.572055 O\n0.916874 0.199837 0.537154 O\n0.419357 0.699226 0.538565 O\n0.347746 0.082368 0.574645 O\n0.656977 0.908595 0.420063 O\n0.550190 0.308809 0.451247 O\n0.048513 0.823421 0.436247 O\n0.169253 0.400558 0.424118 O\n0.602645 0.538290 0.316373 O\n0.760007 0.321973 0.297077 O\n0.283663 0.846731 0.301606 O\n0.111024 0.050266 0.308884 O\n0.721219 0.967534 0.174267 O\n0.841287 0.627245 0.092469 O\n0.231814 0.452616 0.168730 O\n0.374729 0.119426 0.114588 O\n0.382221 0.634683 0.079978 O\n0.882232 0.132937 0.079380 O\n",
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"formula_full": "Li9 Cr4 P4 C4 O28",
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{
"id": "mp-32613",
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"structure_string": "Ce10 O18\n1.0\n6.775847 0.000000 0.000000\n2.248715 7.478820 0.000000\n2.304298 1.376074 8.305986\nCe O\n10 18\ndirect\n0.896496 0.854354 0.701012 Ce\n0.869524 0.359270 0.688940 Ce\n0.130476 0.640730 0.311060 Ce\n0.295237 0.933931 0.915941 Ce\n0.103504 0.145646 0.298988 Ce\n0.521964 0.245010 0.480318 Ce\n0.289900 0.462789 0.912623 Ce\n0.710100 0.537211 0.087377 Ce\n0.478036 0.754990 0.519682 Ce\n0.704763 0.066069 0.084059 Ce\n0.031960 0.475579 0.165188 O\n0.028690 0.924688 0.161372 O\n0.971310 0.075312 0.838628 O\n0.172934 0.340538 0.469051 O\n0.484745 0.566921 0.340578 O\n0.968040 0.524421 0.834812 O\n0.359548 0.646415 0.053797 O\n0.238696 0.751388 0.763022 O\n0.148914 0.848330 0.460301 O\n0.676528 0.839695 0.967207 O\n0.522264 0.975028 0.666905 O\n0.477736 0.024972 0.333095 O\n0.323472 0.160305 0.032793 O\n0.851086 0.151670 0.539699 O\n0.640452 0.353585 0.946203 O\n0.515255 0.433079 0.659422 O\n0.827066 0.659462 0.530949 O\n0.761304 0.248612 0.236978 O\n",
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"elements": [
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"formula_full": "Ce10 O18",
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{
"id": "mp-1039854",
"created_at": "2022-09-04T14:41:26.256296Z",
"structure_string": "Mg30 Nb1 Si1 O32\n1.0\n8.594740 0.000000 0.000000\n0.000000 8.594740 0.000000\n0.000000 0.000000 8.586332\nMg Nb Si O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.253757 0.000000 0.248885 Mg\n0.253757 0.000000 0.751115 Mg\n0.746243 0.000000 0.248885 Mg\n0.746243 0.000000 0.751115 Mg\n0.250218 0.500000 0.249806 Mg\n0.250218 0.500000 0.750194 Mg\n0.749782 0.500000 0.249806 Mg\n0.749782 0.500000 0.750194 Mg\n0.000000 0.253757 0.248885 Mg\n0.000000 0.253757 0.751115 Mg\n0.500000 0.250218 0.249806 Mg\n0.500000 0.250218 0.750194 Mg\n0.000000 0.746243 0.248885 Mg\n0.000000 0.746243 0.751115 Mg\n0.500000 0.749782 0.249806 Mg\n0.500000 0.749782 0.750194 Mg\n0.251137 0.251137 0.000000 Mg\n0.251909 0.251909 0.500000 Mg\n0.748863 0.251137 0.000000 Mg\n0.748091 0.251909 0.500000 Mg\n0.251137 0.748863 0.000000 Mg\n0.251909 0.748091 0.500000 Mg\n0.748863 0.748863 0.000000 Mg\n0.748091 0.748091 0.500000 Mg\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Si\n0.000000 0.262603 0.000000 O\n0.000000 0.262069 0.500000 O\n0.500000 0.251805 0.000000 O\n0.500000 0.251651 0.500000 O\n0.000000 0.737397 0.000000 O\n0.000000 0.737931 0.500000 O\n0.500000 0.748195 0.000000 O\n0.500000 0.748349 0.500000 O\n0.249199 0.249199 0.250061 O\n0.249199 0.249199 0.749939 O\n0.750801 0.249199 0.250061 O\n0.750801 0.249199 0.749939 O\n0.249199 0.750801 0.250061 O\n0.249199 0.750801 0.749939 O\n0.750801 0.750801 0.250061 O\n0.750801 0.750801 0.749939 O\n0.000000 0.000000 0.241646 O\n0.000000 0.000000 0.758354 O\n0.500000 0.000000 0.250362 O\n0.500000 0.000000 0.749638 O\n0.000000 0.500000 0.250362 O\n0.000000 0.500000 0.749638 O\n0.500000 0.500000 0.250159 O\n0.500000 0.500000 0.749841 O\n0.262603 0.000000 0.000000 O\n0.262069 0.000000 0.500000 O\n0.737397 0.000000 0.000000 O\n0.737931 0.000000 0.500000 O\n0.251805 0.500000 0.000000 O\n0.251651 0.500000 0.500000 O\n0.748195 0.500000 0.000000 O\n0.748349 0.500000 0.500000 O\n",
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{
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"structure_string": "Li2 Fe4 O4 F6\n1.0\n1.936170 4.996976 0.000000\n-1.936170 4.996976 0.000000\n0.000000 0.095357 10.095577\nLi Fe O F\n2 4 4 6\ndirect\n0.691157 0.691157 0.737207 Li\n0.364478 0.364478 0.573667 Li\n0.646612 0.646612 0.440255 Fe\n0.629588 0.629588 0.080108 Fe\n0.299962 0.299962 0.253702 Fe\n0.356324 0.356324 0.945198 Fe\n0.739422 0.739422 0.244579 O\n0.444156 0.444156 0.115796 O\n0.188051 0.188051 0.062097 O\n0.178225 0.178225 0.411271 O\n0.550781 0.550781 0.887708 F\n0.806010 0.806010 0.561424 F\n0.552145 0.552145 0.611143 F\n0.824927 0.824927 0.929281 F\n0.274583 0.274583 0.767424 F\n0.453585 0.453585 0.379142 F\n",
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{
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{
"id": "mp-752864",
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"structure_string": "Li3 Co2 C4 O12\n1.0\n6.373189 -0.015233 0.096553\n-0.015270 7.836315 0.025724\n-2.217346 0.020581 4.713035\nLi Co C O\n3 2 4 12\ndirect\n0.335677 0.942843 0.627385 Li\n0.654723 0.067964 0.363964 Li\n0.796237 0.556784 0.606510 Li\n0.001821 0.994328 0.995392 Co\n0.485593 0.501294 0.980546 Co\n0.115837 0.254803 0.868677 C\n0.624833 0.236101 0.848564 C\n0.391371 0.769988 0.153730 C\n0.879584 0.740400 0.143624 C\n0.086150 0.113811 0.718591 O\n0.150540 0.400740 0.790936 O\n0.386441 0.759914 0.901716 O\n0.092702 0.224456 0.102905 O\n0.350354 0.916227 0.246170 O\n0.440809 0.635036 0.307778 O\n0.613807 0.377404 0.715236 O\n0.654537 0.088839 0.749766 O\n0.900705 0.755491 0.903396 O\n0.595050 0.243055 0.080087 O\n0.830569 0.603903 0.233984 O\n0.918931 0.886776 0.281027 O\n",
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{
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"structure_string": "Ce4 Cd2 Cu4\n1.0\n3.620713 4.335539 0.000000\n-3.620713 4.335539 0.000000\n0.000000 2.179821 7.191848\nCe Cd Cu\n4 2 4\ndirect\n0.799205 0.799205 0.739626 Ce\n0.200795 0.200795 0.260374 Ce\n0.332347 0.332347 0.727092 Ce\n0.667653 0.667653 0.272908 Ce\n0.775587 0.224413 0.000000 Cd\n0.224413 0.775587 0.000000 Cd\n0.673431 0.125513 0.402593 Cu\n0.874487 0.326569 0.597407 Cu\n0.326569 0.874487 0.597407 Cu\n0.125513 0.673431 0.402593 Cu\n",
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{
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"structure_string": "Na3 Eu3 F12\n1.0\n6.239249 0.000000 0.000000\n-3.098758 6.516419 0.000000\n-3.113530 -2.297296 6.138977\nNa Eu F\n3 3 12\ndirect\n0.246921 0.913912 0.579379 Na\n0.342439 0.678896 0.997363 Na\n0.833068 0.166251 0.511044 Na\n0.001970 0.001356 0.002256 Eu\n0.504209 0.505050 0.504089 Eu\n0.745635 0.411824 0.080570 Eu\n0.904187 0.627137 0.875624 F\n0.384248 0.135016 0.370975 F\n0.504150 0.742228 0.760103 F\n0.990839 0.235957 0.264574 F\n0.365173 0.388333 0.112392 F\n0.858129 0.883815 0.625002 F\n0.249976 0.653646 0.298509 F\n0.790381 0.194207 0.842322 F\n0.394711 0.038626 0.992677 F\n0.857544 0.503183 0.453108 F\n0.826671 0.773636 0.178321 F\n0.365749 0.312928 0.717694 F\n",
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{
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"structure_string": "Ca19 Cu24 O46\n1.0\n6.471133 0.000000 0.000000\n0.027164 10.929972 0.000000\n0.037631 4.408367 16.368420\nCa Cu O\n19 24 46\ndirect\n0.251340 0.748412 0.955173 Ca\n0.250478 0.746271 0.759301 Ca\n0.744932 0.754859 0.649497 Ca\n0.249916 0.750914 0.554569 Ca\n0.748190 0.747492 0.455511 Ca\n0.250855 0.744946 0.360376 Ca\n0.753474 0.749116 0.254935 Ca\n0.254464 0.755683 0.149539 Ca\n0.750744 0.751315 0.036744 Ca\n0.251743 0.251599 0.947478 Ca\n0.740883 0.248123 0.848515 Ca\n0.244310 0.250651 0.738493 Ca\n0.751171 0.251019 0.639089 Ca\n0.252227 0.252947 0.541770 Ca\n0.750723 0.248320 0.446098 Ca\n0.254170 0.244034 0.348505 Ca\n0.753914 0.252071 0.241455 Ca\n0.248503 0.252826 0.141503 Ca\n0.750956 0.251585 0.042941 Ca\n0.481314 0.994987 0.916696 Cu\n0.974008 0.997117 0.834324 Cu\n0.475306 0.999323 0.749934 Cu\n0.999492 0.998711 0.503825 Cu\n0.514184 0.996035 0.418602 Cu\n0.017044 0.996079 0.334982 Cu\n0.520700 0.000148 0.249813 Cu\n0.005306 0.003046 0.999050 Cu\n0.500226 0.499087 0.919500 Cu\n0.995633 0.501430 0.833697 Cu\n0.478370 0.498264 0.754227 Cu\n0.993398 0.502290 0.666740 Cu\n0.495793 0.502476 0.586403 Cu\n0.999359 0.499306 0.501223 Cu\n0.504633 0.498751 0.418345 Cu\n0.006913 0.498565 0.334048 Cu\n0.503075 0.500861 0.249845 Cu\n0.004325 0.502230 0.165291 Cu\n0.498569 0.498972 0.083011 Cu\n0.005236 0.502791 0.997572 Cu\n0.999628 0.005213 0.667396 Cu\n0.485958 0.002561 0.581957 Cu\n0.016267 0.002314 0.166149 Cu\n0.515682 0.003223 0.080829 Cu\n0.957101 0.882027 0.938783 O\n0.420009 0.876178 0.846031 O\n0.497346 0.882162 0.689071 O\n0.041423 0.877486 0.613087 O\n0.558808 0.874281 0.524215 O\n0.056164 0.873498 0.437494 O\n0.548528 0.874582 0.349136 O\n0.547151 0.616159 0.982115 O\n0.029578 0.878979 0.269630 O\n0.089931 0.616736 0.889774 O\n0.501128 0.884481 0.187207 O\n0.965566 0.883145 0.102619 O\n0.986622 0.622309 0.731789 O\n0.445553 0.875004 0.023299 O\n0.450554 0.630006 0.658458 O\n0.943129 0.624821 0.565386 O\n0.438851 0.623782 0.480380 O\n0.949914 0.619381 0.393162 O\n0.947436 0.379645 0.933896 O\n0.478754 0.618679 0.311320 O\n0.468854 0.387367 0.854780 O\n0.013976 0.619062 0.230806 O\n0.988075 0.381356 0.770771 O\n0.536012 0.620563 0.147151 O\n0.530003 0.376659 0.688034 O\n0.052800 0.623871 0.064276 O\n0.054020 0.378140 0.608423 O\n0.562622 0.376178 0.520579 O\n0.052770 0.376771 0.434138 O\n0.534210 0.378300 0.349345 O\n0.557582 0.124501 0.975042 O\n0.011629 0.381142 0.269144 O\n0.034613 0.125415 0.897728 O\n0.475715 0.382871 0.188349 O\n0.495010 0.116330 0.811898 O\n0.946392 0.380283 0.106388 O\n0.969878 0.111565 0.734065 O\n0.437741 0.369125 0.028950 O\n0.450357 0.124432 0.650229 O\n0.937289 0.132388 0.558176 O\n0.443354 0.124651 0.475702 O\n0.967865 0.116378 0.393820 O\n0.504169 0.116387 0.312244 O\n0.029619 0.119538 0.233447 O\n0.549689 0.125314 0.150586 O\n0.057448 0.125872 0.062396 O\n",
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"formula_full": "Ca19 Cu24 O46",
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},
{
"id": "mp-764516",
"created_at": "2022-09-04T14:41:26.329292Z",
"structure_string": "Li12 Co8 Si8 O32\n1.0\n9.783592 0.000000 0.000000\n-4.346924 8.921855 0.000000\n-4.382910 -3.197222 8.361805\nLi Co Si O\n12 8 8 32\ndirect\n0.196757 0.702044 0.229242 Li\n0.007020 0.319775 0.181748 Li\n0.511442 0.342753 0.676306 Li\n0.994438 0.679094 0.818413 Li\n0.247038 0.007032 0.749542 Li\n0.135642 0.202780 0.464465 Li\n0.622219 0.198297 0.957562 Li\n0.377876 0.799275 0.044673 Li\n0.865082 0.798713 0.540396 Li\n0.756247 0.995497 0.251212 Li\n0.485752 0.650356 0.325147 Li\n0.810343 0.283783 0.789774 Li\n0.995643 0.900759 0.096334 Co\n0.996393 0.596971 0.405905 Co\n0.000141 0.401594 0.595414 Co\n0.497450 0.401338 0.092612 Co\n0.497215 0.901102 0.593603 Co\n0.006487 0.096403 0.905902 Co\n0.504763 0.103863 0.404941 Co\n0.502200 0.602280 0.901521 Co\n0.175161 0.962134 0.454340 Si\n0.325355 0.034287 0.042325 Si\n0.317665 0.533588 0.531370 Si\n0.826710 0.536332 0.031381 Si\n0.172977 0.466421 0.964016 Si\n0.678163 0.465051 0.466044 Si\n0.676592 0.965802 0.959779 Si\n0.826097 0.040311 0.544724 Si\n0.039249 0.981082 0.293146 O\n0.287555 0.127160 0.602382 O\n0.057059 0.812569 0.492446 O\n0.308987 0.926486 0.413018 O\n0.179531 0.056710 0.069570 O\n0.177167 0.561027 0.568457 O\n0.675121 0.559020 0.048433 O\n0.436889 0.185999 0.001812 O\n0.425704 0.688358 0.492485 O\n0.228836 0.871678 0.898029 O\n0.204388 0.368437 0.387566 O\n0.959506 0.703655 0.016283 O\n0.720650 0.375876 0.879975 O\n0.037275 0.478211 0.794739 O\n0.549382 0.479858 0.302365 O\n0.552194 0.989976 0.801923 O\n0.457488 0.018236 0.208932 O\n0.450804 0.520943 0.701880 O\n0.964064 0.529054 0.198337 O\n0.278555 0.626268 0.115958 O\n0.035355 0.302151 0.973703 O\n0.792642 0.624691 0.616959 O\n0.775620 0.122460 0.112314 O\n0.561365 0.301663 0.498715 O\n0.558889 0.806226 0.994524 O\n0.324133 0.450631 0.939535 O\n0.819012 0.428582 0.438784 O\n0.822825 0.935854 0.940620 O\n0.692288 0.083522 0.579171 O\n0.947137 0.197624 0.510571 O\n0.711984 0.880358 0.390204 O\n0.959468 0.018005 0.698496 O\n",
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}