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{
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"structure_string": "Tb1 Fe10 Si2\n1.0\n0.000000 0.000000 4.748370\n-4.148651 4.189358 2.374185\n-4.148651 -4.189358 -2.374185\nTb Fe Si\n1 10 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.639081 0.360919 0.639081 Fe\n0.360919 0.639081 0.360919 Fe\n0.000000 0.354691 0.354691 Fe\n0.000000 0.645309 0.645309 Fe\n0.500000 0.790505 0.790505 Fe\n0.500000 0.209495 0.209495 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.736028 0.763972 0.236028 Si\n0.263972 0.236028 0.763972 Si\n",
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{
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"structure_string": "K2 Sr4 Nb8 Fe2 O30\n1.0\n12.495899 0.000000 0.000000\n0.000000 12.495899 0.000000\n0.000000 0.000000 4.039509\nK Sr Nb Fe O\n2 4 8 2 30\ndirect\n0.500000 0.500000 0.012102 K\n0.000000 0.000000 0.012102 K\n0.350532 0.850532 0.007138 Sr\n0.649468 0.149468 0.007138 Sr\n0.850532 0.649468 0.007138 Sr\n0.149468 0.350532 0.007138 Sr\n0.420049 0.288932 0.531186 Nb\n0.579951 0.711068 0.531186 Nb\n0.920049 0.211068 0.531186 Nb\n0.079951 0.788932 0.531186 Nb\n0.711068 0.420049 0.531186 Nb\n0.288932 0.579951 0.531186 Nb\n0.788932 0.920049 0.531186 Nb\n0.211068 0.079951 0.531186 Nb\n0.500000 0.000000 0.495597 Fe\n0.000000 0.500000 0.495597 Fe\n0.227653 0.727653 0.485172 O\n0.772347 0.272347 0.485172 O\n0.727653 0.772347 0.485172 O\n0.272347 0.227653 0.485172 O\n0.357383 0.433042 0.488084 O\n0.642617 0.566958 0.488084 O\n0.857383 0.066958 0.488084 O\n0.142617 0.933042 0.488084 O\n0.566958 0.357383 0.488084 O\n0.433042 0.642617 0.488084 O\n0.933042 0.857383 0.488084 O\n0.066958 0.142617 0.488084 O\n0.500000 0.000000 0.991061 O\n0.000000 0.500000 0.991061 O\n0.151613 0.491457 0.489812 O\n0.848387 0.508543 0.489812 O\n0.651613 0.008543 0.489812 O\n0.348387 0.991457 0.489812 O\n0.508543 0.151613 0.489812 O\n0.491457 0.848387 0.489812 O\n0.991457 0.651613 0.489812 O\n0.008543 0.348387 0.489812 O\n0.423670 0.286813 0.992073 O\n0.576330 0.713187 0.992073 O\n0.923670 0.213187 0.992073 O\n0.076330 0.786813 0.992073 O\n0.713187 0.423670 0.992073 O\n0.286813 0.576330 0.992073 O\n0.786813 0.923670 0.992073 O\n0.213187 0.076330 0.992073 O\n",
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"formula_full": "K2 Sr4 Nb8 Fe2 O30",
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},
{
"id": "mp-776688",
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"structure_string": "V8 O12\n1.0\n-0.899840 0.000000 3.668485\n4.646770 -0.000003 2.906353\n-0.000005 12.036362 -0.000002\nV O\n8 12\ndirect\n0.612175 0.327156 0.341024 V\n0.612174 0.827153 0.158977 V\n0.840060 0.288559 0.049753 V\n0.840056 0.788560 0.450248 V\n0.387868 0.172881 0.841025 V\n0.387868 0.672878 0.658973 V\n0.159891 0.211416 0.549818 V\n0.159886 0.711424 0.950181 V\n0.930300 0.086023 0.891683 O\n0.069658 0.413999 0.391735 O\n0.930301 0.586024 0.608317 O\n0.069659 0.914001 0.108265 O\n0.319390 0.041426 0.693780 O\n0.680683 0.458575 0.193764 O\n0.319393 0.541427 0.806221 O\n0.680683 0.958574 0.306236 O\n0.325711 0.318504 0.004900 O\n0.674265 0.181458 0.504972 O\n0.325710 0.818503 0.495100 O\n0.674271 0.681460 0.995030 O\n",
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{
"id": "mp-1233950",
"created_at": "2022-09-04T14:46:28.521574Z",
"structure_string": "K2 Mg1 Fe4 P6 O16 F12\n1.0\n7.037372 0.009173 -2.516258\n-0.629947 7.772979 -1.470931\n0.161768 0.082088 10.794673\nK Mg Fe P O F\n2 1 4 6 16 12\ndirect\n0.782166 0.091996 0.773494 K\n0.229898 0.948309 0.219521 K\n0.633603 0.218898 0.081158 Mg\n0.676022 0.325108 0.364311 Fe\n0.336205 0.673943 0.658396 Fe\n0.480706 0.523197 0.986503 Fe\n0.005642 0.997739 0.508215 Fe\n0.656396 0.730171 0.502291 P\n0.335034 0.278046 0.496429 P\n0.303007 0.058753 0.818902 P\n0.705605 0.915651 0.188628 P\n0.048072 0.595404 0.827918 P\n0.969569 0.393475 0.152679 P\n0.729225 0.572000 0.441617 O\n0.258823 0.444702 0.544488 O\n0.801841 0.885205 0.554729 O\n0.198531 0.118559 0.460900 O\n0.594434 0.075747 0.209420 O\n0.412777 0.908865 0.782380 O\n0.441267 0.212330 0.903431 O\n0.580738 0.758356 0.111535 O\n0.879681 0.899393 0.303880 O\n0.133812 0.100121 0.708436 O\n0.910887 0.319967 0.253256 O\n0.106338 0.657120 0.723111 O\n0.809111 0.382705 0.022297 O\n0.189661 0.545564 0.946417 O\n0.418482 0.278643 0.386120 O\n0.561238 0.711060 0.604725 O\n0.847771 0.192561 0.493934 F\n0.165093 0.797055 0.523370 F\n0.525390 0.414358 0.152850 F\n0.485271 0.571465 0.813131 F\n0.794262 0.980589 0.076984 F\n0.208936 0.005290 0.923583 F\n0.888102 0.446352 0.759833 F\n0.069178 0.577538 0.207568 F\n0.506262 0.246332 0.623811 F\n0.491432 0.785741 0.381236 F\n0.134860 0.293768 0.121775 F\n0.926814 0.734589 0.880489 F\n",
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{
"id": "mp-554574",
"created_at": "2022-09-04T14:46:29.237669Z",
"structure_string": "Sb8 Au2 Xe8 F44\n1.0\n8.159569 0.000000 0.000000\n-0.759639 9.396798 0.000000\n-0.837388 -3.118158 17.588396\nSb Au Xe F\n8 2 8 44\ndirect\n0.786788 0.299108 0.416908 Sb\n0.704351 0.834082 0.915331 Sb\n0.896249 0.392467 0.126369 Sb\n0.643639 0.946366 0.634695 Sb\n0.103751 0.607533 0.873631 Sb\n0.356361 0.053634 0.365305 Sb\n0.295649 0.165918 0.084669 Sb\n0.213212 0.700892 0.583092 Sb\n0.600280 0.721034 0.256612 Au\n0.399720 0.278966 0.743388 Au\n0.632436 0.304788 0.867023 Xe\n0.842604 0.742090 0.375499 Xe\n0.367564 0.695212 0.132977 Xe\n0.816459 0.890600 0.181700 Xe\n0.157396 0.257910 0.624501 Xe\n0.380111 0.555753 0.331859 Xe\n0.183541 0.109400 0.818300 Xe\n0.619889 0.444247 0.668141 Xe\n0.841757 0.117555 0.365044 F\n0.692858 0.462657 0.470358 F\n0.511391 0.979080 0.720630 F\n0.307142 0.537343 0.529642 F\n0.612205 0.713994 0.981161 F\n0.998833 0.397206 0.416300 F\n0.247380 0.096947 0.456723 F\n0.182114 0.046553 0.998534 F\n0.023406 0.443622 0.915011 F\n0.813880 0.086032 0.683691 F\n0.031722 0.468349 0.216375 F\n0.781029 0.312123 0.031915 F\n0.904323 0.704736 0.917622 F\n0.186120 0.913968 0.316309 F\n0.727810 0.786697 0.670118 F\n0.168073 0.761579 0.488295 F\n0.838681 0.221859 0.165396 F\n0.829274 0.936848 0.850806 F\n0.170726 0.063152 0.149194 F\n0.548224 0.198393 0.418905 F\n0.476030 0.052035 0.087866 F\n0.218971 0.687877 0.968085 F\n0.968278 0.531651 0.783625 F\n0.376907 0.307695 0.169698 F\n0.817886 0.953447 0.001466 F\n0.752620 0.903053 0.543277 F\n0.288949 0.649556 0.676224 F\n0.158243 0.882445 0.634956 F\n0.976594 0.556378 0.084989 F\n0.529244 0.088351 0.594368 F\n0.488609 0.020920 0.279370 F\n0.161319 0.778141 0.834604 F\n0.288577 0.511281 0.834747 F\n0.623093 0.692305 0.830302 F\n0.470756 0.911649 0.405632 F\n0.711051 0.350444 0.323776 F\n0.711423 0.488719 0.165253 F\n0.387795 0.286006 0.018839 F\n0.523970 0.947965 0.912134 F\n0.001167 0.602794 0.583700 F\n0.272190 0.213303 0.329882 F\n0.451776 0.801607 0.581095 F\n0.095677 0.295264 0.082378 F\n0.831927 0.238421 0.511705 F\n",
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"formula_full": "Sb8 Au2 Xe8 F44",
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{
"id": "mp-641497",
"created_at": "2022-09-04T14:46:30.401641Z",
"structure_string": "K4 Fe4 Co12 P12 O48\n1.0\n6.229669 0.000000 0.000000\n0.000000 9.791016 0.000000\n0.000000 0.000000 16.820795\nK Fe Co P O\n4 4 12 12 48\ndirect\n0.500000 0.204755 0.535013 K\n0.000000 0.295245 0.035013 K\n0.500000 0.795245 0.464987 K\n0.000000 0.704755 0.964987 K\n0.000000 0.012343 0.639220 Fe\n0.000000 0.987657 0.360780 Fe\n0.500000 0.487657 0.139220 Fe\n0.500000 0.512343 0.860780 Fe\n0.500000 0.034284 0.090795 Co\n0.250961 0.748935 0.702122 Co\n0.250961 0.251065 0.297878 Co\n0.750961 0.248935 0.797878 Co\n0.249039 0.751065 0.202122 Co\n0.500000 0.965716 0.909205 Co\n0.000000 0.534284 0.409205 Co\n0.749039 0.251065 0.297878 Co\n0.000000 0.465716 0.590795 Co\n0.750961 0.751065 0.202122 Co\n0.249039 0.248935 0.797878 Co\n0.749039 0.748935 0.702122 Co\n0.000000 0.210783 0.463233 P\n0.000000 0.456749 0.217461 P\n0.000000 0.957601 0.834548 P\n0.500000 0.542399 0.334548 P\n0.000000 0.543251 0.782539 P\n0.500000 0.457601 0.665452 P\n0.500000 0.710783 0.036767 P\n0.500000 0.043251 0.717461 P\n0.000000 0.042399 0.165452 P\n0.500000 0.289217 0.963233 P\n0.000000 0.789217 0.536767 P\n0.500000 0.956749 0.282539 P\n0.697897 0.333764 0.911489 O\n0.201956 0.087071 0.120683 O\n0.794817 0.401394 0.178205 O\n0.802103 0.166236 0.411489 O\n0.500000 0.359006 0.043717 O\n0.500000 0.616760 0.677328 O\n0.500000 0.891768 0.195735 O\n0.000000 0.859006 0.456283 O\n0.697897 0.666236 0.088511 O\n0.302103 0.333764 0.911489 O\n0.000000 0.384055 0.775713 O\n0.294817 0.901394 0.321795 O\n0.000000 0.615945 0.224287 O\n0.298044 0.587071 0.379317 O\n0.302103 0.666236 0.088511 O\n0.500000 0.115945 0.275713 O\n0.000000 0.368116 0.478558 O\n0.500000 0.385416 0.751224 O\n0.500000 0.868116 0.021442 O\n0.705183 0.901394 0.321795 O\n0.294817 0.098606 0.678205 O\n0.500000 0.640994 0.956283 O\n0.197897 0.833764 0.588511 O\n0.701956 0.587071 0.379317 O\n0.802103 0.833764 0.588511 O\n0.000000 0.883240 0.177328 O\n0.000000 0.885416 0.748776 O\n0.500000 0.884055 0.724287 O\n0.205183 0.598606 0.821795 O\n0.794817 0.598606 0.821795 O\n0.000000 0.116760 0.822672 O\n0.701956 0.412929 0.620683 O\n0.500000 0.383240 0.322672 O\n0.201956 0.912929 0.879317 O\n0.298044 0.412929 0.620683 O\n0.798044 0.087071 0.120683 O\n0.500000 0.614584 0.248776 O\n0.000000 0.114584 0.251224 O\n0.000000 0.140994 0.543717 O\n0.000000 0.391768 0.304265 O\n0.000000 0.631884 0.521442 O\n0.197897 0.166236 0.411489 O\n0.205183 0.401394 0.178205 O\n0.500000 0.131884 0.978558 O\n0.500000 0.108232 0.804265 O\n0.000000 0.608232 0.695735 O\n0.798044 0.912929 0.879317 O\n0.705183 0.098606 0.678205 O\n",
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"formula_full": "K4 Fe4 Co12 P12 O48",
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},
{
"id": "mp-1291343",
"created_at": "2022-09-04T14:46:29.240657Z",
"structure_string": "Li6 Mn8 Sn2 O16\n1.0\n1.856313 -2.714474 -5.292231\n-8.905418 -2.672620 -5.138830\n0.063691 3.322702 -5.308516\nLi Mn Sn O\n6 8 2 16\ndirect\n0.747629 0.253354 0.752753 Li\n0.249256 0.747513 0.249296 Li\n0.753463 0.249096 0.250133 Li\n0.246920 0.750929 0.747504 Li\n0.237593 0.263898 0.734711 Li\n0.758406 0.735546 0.268660 Li\n0.749837 0.748317 0.748077 Mn\n0.248514 0.250881 0.255491 Mn\n0.001715 0.001163 0.001408 Mn\n0.498411 0.498455 0.497608 Mn\n0.000719 0.999601 0.502768 Mn\n0.499890 0.502395 0.994670 Mn\n0.504710 0.997660 0.000231 Mn\n0.995662 0.502342 0.499862 Mn\n0.501144 0.000354 0.501182 Sn\n0.999788 0.499392 0.999173 Sn\n0.877897 0.381935 0.873936 O\n0.346756 0.890209 0.389179 O\n0.655849 0.109985 0.612633 O\n0.120466 0.617819 0.124391 O\n0.362540 0.378124 0.370420 O\n0.889406 0.891400 0.834343 O\n0.119657 0.114162 0.170277 O\n0.631201 0.616546 0.620998 O\n0.878640 0.376803 0.355193 O\n0.379638 0.880668 0.855893 O\n0.355387 0.373245 0.880664 O\n0.853338 0.877098 0.369531 O\n0.150504 0.125996 0.627710 O\n0.642275 0.623212 0.121807 O\n0.617860 0.122323 0.147609 O\n0.124930 0.619580 0.641890 O\n",
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