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{
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"structure_string": "Ag18 P28 O56 F56\n1.0\n10.117940 0.000000 0.000000\n0.000000 10.460026 0.000000\n-6.541530 0.000000 23.888855\nAg P O F\n18 28 56 56\ndirect\n0.665968 0.544306 0.223647 Ag\n0.334032 0.044306 0.276353 Ag\n0.334032 0.455694 0.776353 Ag\n0.665968 0.955694 0.723647 Ag\n0.069685 0.679979 0.077388 Ag\n0.930315 0.179979 0.422612 Ag\n0.930315 0.320021 0.922612 Ag\n0.069685 0.820021 0.577388 Ag\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.328657 0.710266 0.216721 Ag\n0.671343 0.210266 0.283279 Ag\n0.671343 0.289734 0.783279 Ag\n0.328657 0.789734 0.716721 Ag\n0.737594 0.550643 0.086681 Ag\n0.262406 0.050643 0.413319 Ag\n0.262406 0.449357 0.913319 Ag\n0.737594 0.949357 0.586681 Ag\n0.379329 0.787766 0.366131 P\n0.620671 0.287766 0.133869 P\n0.620671 0.212234 0.633869 P\n0.379329 0.712234 0.866131 P\n0.772272 0.866623 0.051166 P\n0.227728 0.366623 0.448834 P\n0.227728 0.133377 0.948834 P\n0.772272 0.633377 0.551166 P\n0.227966 0.971936 0.127138 P\n0.772034 0.471936 0.372862 P\n0.772034 0.028064 0.872862 P\n0.227966 0.528064 0.627138 P\n0.633462 0.882292 0.245810 P\n0.366538 0.382292 0.254190 P\n0.366538 0.117708 0.754190 P\n0.633462 0.617708 0.745810 P\n0.413735 0.628659 0.081075 P\n0.586265 0.128659 0.418925 P\n0.586265 0.371341 0.918925 P\n0.413735 0.871341 0.581075 P\n0.010268 0.855868 0.435830 P\n0.989732 0.355868 0.064170 P\n0.989732 0.144132 0.564170 P\n0.010268 0.644132 0.935830 P\n0.002125 0.647407 0.219205 P\n0.997875 0.147407 0.280795 P\n0.997875 0.352593 0.780795 P\n0.002125 0.852593 0.719205 P\n0.334611 0.856182 0.411740 O\n0.665389 0.356182 0.088260 O\n0.665389 0.143818 0.588260 O\n0.334611 0.643818 0.911740 O\n0.322092 0.823858 0.305810 O\n0.677908 0.323858 0.194190 O\n0.677908 0.176142 0.694190 O\n0.322092 0.676142 0.805810 O\n0.192768 0.418041 0.499861 O\n0.807232 0.918041 0.000139 O\n0.807232 0.581959 0.500139 O\n0.192768 0.081959 0.999861 O\n0.827252 0.737132 0.073461 O\n0.172748 0.237132 0.426539 O\n0.172748 0.262868 0.926539 O\n0.827252 0.762868 0.573461 O\n0.095586 0.928866 0.086716 O\n0.904414 0.428866 0.413284 O\n0.904414 0.071134 0.913284 O\n0.095586 0.571134 0.586716 O\n0.260223 0.922267 0.185919 O\n0.739777 0.422267 0.314081 O\n0.739777 0.077733 0.814081 O\n0.260223 0.577733 0.685919 O\n0.569472 0.000689 0.262400 O\n0.430528 0.500689 0.237600 O\n0.430528 0.999311 0.737600 O\n0.569472 0.499311 0.762400 O\n0.549983 0.761991 0.228801 O\n0.450017 0.261991 0.271199 O\n0.450017 0.238009 0.771199 O\n0.549983 0.738009 0.728801 O\n0.561326 0.621498 0.115403 O\n0.438674 0.121498 0.384597 O\n0.438674 0.378502 0.884597 O\n0.561326 0.878502 0.615403 O\n0.307137 0.656980 0.111418 O\n0.692863 0.156980 0.388582 O\n0.692863 0.343020 0.888582 O\n0.307137 0.843020 0.611418 O\n0.086115 0.982488 0.443591 O\n0.913885 0.482488 0.056409 O\n0.913885 0.017512 0.556409 O\n0.086115 0.517512 0.943591 O\n0.038729 0.760035 0.482122 O\n0.961271 0.260035 0.017878 O\n0.961271 0.239965 0.517878 O\n0.038729 0.739965 0.982122 O\n0.132300 0.083926 0.306644 O\n0.867700 0.583926 0.193356 O\n0.867700 0.916074 0.693356 O\n0.132300 0.416074 0.806644 O\n0.114597 0.635408 0.189502 O\n0.885403 0.135408 0.310498 O\n0.885403 0.364592 0.810498 O\n0.114597 0.864592 0.689502 O\n0.358220 0.641646 0.373936 F\n0.641780 0.141646 0.126064 F\n0.641780 0.358354 0.626064 F\n0.358220 0.858354 0.873936 F\n0.540212 0.790643 0.380003 F\n0.459788 0.290643 0.119997 F\n0.459788 0.209357 0.619997 F\n0.540212 0.709357 0.880003 F\n0.386702 0.132843 0.961200 F\n0.613298 0.632843 0.538800 F\n0.613298 0.867157 0.038800 F\n0.386702 0.367157 0.461200 F\n0.811731 0.965182 0.099864 F\n0.188269 0.465182 0.400136 F\n0.188269 0.034818 0.900136 F\n0.811731 0.534818 0.599864 F\n0.234394 0.378902 0.629295 F\n0.765606 0.878902 0.870705 F\n0.765606 0.621098 0.370705 F\n0.234394 0.121098 0.129295 F\n0.350035 0.944332 0.101061 F\n0.649965 0.444332 0.398939 F\n0.649965 0.055668 0.898939 F\n0.350035 0.555668 0.601061 F\n0.703966 0.917118 0.198637 F\n0.296034 0.417118 0.301363 F\n0.296034 0.082882 0.801363 F\n0.703966 0.582882 0.698637 F\n0.236786 0.342336 0.207117 F\n0.763214 0.842336 0.292883 F\n0.763214 0.657664 0.792883 F\n0.236786 0.157664 0.707117 F\n0.377722 0.502336 0.046003 F\n0.622278 0.002336 0.453997 F\n0.622278 0.497664 0.953997 F\n0.377722 0.997664 0.546003 F\n0.400155 0.724283 0.031676 F\n0.599845 0.224283 0.468324 F\n0.599845 0.275717 0.968324 F\n0.400155 0.775717 0.531676 F\n0.146056 0.392159 0.081668 F\n0.853944 0.892159 0.418332 F\n0.853944 0.607841 0.918332 F\n0.146056 0.107841 0.581668 F\n0.022492 0.790238 0.380570 F\n0.977508 0.290238 0.119430 F\n0.977508 0.209762 0.619430 F\n0.022492 0.709762 0.880570 F\n0.979832 0.792693 0.229389 F\n0.020168 0.292693 0.270611 F\n0.020168 0.207307 0.770611 F\n0.979832 0.707307 0.729389 F\n0.057357 0.602606 0.281443 F\n0.942643 0.102606 0.218557 F\n0.942643 0.397394 0.718557 F\n0.057357 0.897394 0.781443 F\n",
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"elements": [
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"formula_full": "Ag18 P28 O56 F56",
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{
"id": "mp-1247697",
"created_at": "2022-09-04T14:40:23.860218Z",
"structure_string": "Ca32 Mn28 Al4 O94\n1.0\n10.816324 0.000544 -0.037121\n0.000759 15.080975 0.000675\n-0.036703 0.000474 10.670971\nCa Mn Al O\n32 28 4 94\ndirect\n0.022272 0.125288 0.497333 Ca\n0.020617 0.120370 0.992549 Ca\n0.023966 0.625204 0.494926 Ca\n0.023530 0.625080 0.996344 Ca\n0.525407 0.128390 0.497070 Ca\n0.525017 0.125373 0.995976 Ca\n0.523091 0.624452 0.495432 Ca\n0.521911 0.624963 0.996798 Ca\n0.477551 0.376154 0.005581 Ca\n0.476480 0.374532 0.504510 Ca\n0.476121 0.874305 0.002263 Ca\n0.479466 0.870778 0.506745 Ca\n0.974301 0.378201 0.002125 Ca\n0.978568 0.375387 0.503311 Ca\n0.977062 0.874673 0.005313 Ca\n0.974589 0.874961 0.503816 Ca\n0.234342 0.378396 0.251012 Ca\n0.227544 0.375182 0.747216 Ca\n0.228244 0.875681 0.245971 Ca\n0.229018 0.875937 0.747922 Ca\n0.726284 0.373116 0.243963 Ca\n0.727240 0.374638 0.745702 Ca\n0.729772 0.873748 0.245631 Ca\n0.726762 0.875427 0.744972 Ca\n0.264976 0.128269 0.249368 Ca\n0.270938 0.125935 0.750451 Ca\n0.273120 0.625309 0.254132 Ca\n0.272542 0.625176 0.754396 Ca\n0.770698 0.121884 0.255803 Ca\n0.773045 0.124948 0.754775 Ca\n0.773255 0.624937 0.254684 Ca\n0.772820 0.625209 0.754586 Ca\n0.003824 0.002927 0.249849 Mn\n0.997274 0.998722 0.750965 Mn\n0.000411 0.498280 0.249297 Mn\n0.000064 0.500116 0.749281 Mn\n0.498284 0.000216 0.748092 Mn\n0.500661 0.500511 0.250057 Mn\n0.500160 0.499536 0.749990 Mn\n0.250540 0.002344 0.003386 Mn\n0.249265 0.498134 0.999739 Mn\n0.250376 0.500400 0.500737 Mn\n0.750933 0.999160 0.997459 Mn\n0.747666 0.000216 0.498660 Mn\n0.749536 0.500388 0.999755 Mn\n0.750405 0.499365 0.499677 Mn\n0.249399 0.248055 0.497692 Mn\n0.249814 0.750100 0.000251 Mn\n0.250667 0.752452 0.499059 Mn\n0.752258 0.249619 0.001668 Mn\n0.749393 0.249824 0.502694 Mn\n0.749784 0.750083 0.000030 Mn\n0.750431 0.749596 0.500133 Mn\n0.001462 0.249492 0.752103 Mn\n0.000639 0.750513 0.249939 Mn\n0.000116 0.750283 0.749945 Mn\n0.496512 0.248357 0.249501 Mn\n0.502597 0.249262 0.749034 Mn\n0.499458 0.752924 0.251044 Mn\n0.500030 0.749593 0.750518 Mn\n0.513869 0.998832 0.230036 Al\n0.230198 0.996151 0.513312 Al\n0.269559 0.246525 0.985607 Al\n0.985077 0.249000 0.269557 Al\n0.105196 0.267586 0.603959 O\n0.103844 0.770281 0.102886 O\n0.104466 0.771601 0.602655 O\n0.603958 0.268622 0.104038 O\n0.602982 0.269663 0.601851 O\n0.604180 0.771732 0.103877 O\n0.605355 0.768983 0.604598 O\n0.394944 0.229441 0.396099 O\n0.401696 0.229668 0.890715 O\n0.396254 0.730768 0.397208 O\n0.395869 0.729801 0.897052 O\n0.890492 0.229583 0.402746 O\n0.897573 0.229745 0.898530 O\n0.895811 0.729712 0.396752 O\n0.895878 0.729241 0.896975 O\n0.141189 0.233067 0.349794 O\n0.141515 0.231397 0.865117 O\n0.146473 0.730219 0.352771 O\n0.146431 0.729774 0.852959 O\n0.645658 0.229350 0.352294 O\n0.649146 0.229520 0.852593 O\n0.645778 0.730582 0.353742 O\n0.645764 0.729293 0.853582 O\n0.348985 0.268195 0.142464 O\n0.353231 0.269426 0.646580 O\n0.353603 0.770806 0.147292 O\n0.354444 0.771218 0.647003 O\n0.867277 0.270324 0.141454 O\n0.854013 0.271059 0.649154 O\n0.853968 0.770488 0.146925 O\n0.854344 0.770785 0.647038 O\n0.354961 0.480151 0.146158 O\n0.353840 0.479445 0.647625 O\n0.357457 0.983288 0.151313 O\n0.358178 0.981636 0.634290 O\n0.853323 0.479134 0.146902 O\n0.853876 0.479223 0.646881 O\n0.855325 0.980823 0.147029 O\n0.851135 0.979521 0.646898 O\n0.150435 0.019046 0.357053 O\n0.146028 0.020545 0.853775 O\n0.146361 0.519761 0.353244 O\n0.146088 0.520154 0.852618 O\n0.632491 0.020480 0.358535 O\n0.645624 0.020866 0.850736 O\n0.646287 0.520504 0.352858 O\n0.646078 0.520973 0.853095 O\n0.395019 0.021266 0.896277 O\n0.395627 0.520067 0.396654 O\n0.395264 0.518007 0.897217 O\n0.894622 0.022137 0.395214 O\n0.894986 0.019277 0.895835 O\n0.897261 0.518112 0.396771 O\n0.896657 0.519342 0.897766 O\n0.103832 0.479207 0.102895 O\n0.104164 0.479596 0.603133 O\n0.104959 0.980933 0.103785 O\n0.098363 0.979939 0.609199 O\n0.604305 0.479565 0.103346 O\n0.604049 0.479602 0.602976 O\n0.609580 0.979773 0.097403 O\n0.602449 0.979346 0.601462 O\n0.015093 0.370716 0.276939 O\n0.010120 0.375251 0.788911 O\n0.010191 0.876020 0.289487 O\n0.009924 0.874357 0.791543 O\n0.508125 0.374395 0.288743 O\n0.510199 0.374837 0.789875 O\n0.505871 0.880301 0.288228 O\n0.509261 0.875042 0.788695 O\n0.484402 0.120767 0.222436 O\n0.490435 0.124829 0.708930 O\n0.490586 0.626132 0.211371 O\n0.489520 0.624740 0.710595 O\n0.995935 0.130420 0.211837 O\n0.990671 0.124875 0.711526 O\n0.990340 0.624348 0.211001 O\n0.989768 0.625057 0.709982 O\n0.237514 0.129877 0.036666 O\n0.250698 0.120340 0.527788 O\n0.240449 0.624291 0.039018 O\n0.240772 0.626036 0.539197 O\n0.740602 0.125067 0.040326 O\n0.738760 0.124891 0.541267 O\n0.739920 0.625263 0.039875 O\n0.740805 0.624813 0.539308 O\n0.259788 0.374630 0.462641 O\n0.248240 0.370400 0.970681 O\n0.261850 0.879589 0.462023 O\n0.260024 0.876036 0.962511 O\n0.760112 0.374960 0.460065 O\n0.758902 0.375265 0.960809 O\n0.759355 0.875266 0.459726 O\n0.761587 0.874543 0.958628 O\n",
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"formula_full": "Ca32 Mn28 Al4 O94",
"formula_reduced": "Ca16Mn14Al2O47",
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"energy": -1208.48702835,
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"updated_at": "2021-11-28T01:34:48.931000Z",
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{
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{
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"elements": [
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"updated_at": "2021-11-28T01:36:08.430000Z",
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},
{
"id": "mp-1229228",
"created_at": "2022-09-04T14:39:42.361412Z",
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{
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},
{
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"elements": [
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],
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]
}