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{
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{
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"formula_full": "Ti2 Zn2 Sn2 P6 O24",
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},
{
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"created_at": "2022-09-04T14:42:56.698902Z",
"structure_string": "Ti6 Fe14 O30\n1.0\n2.577305 4.872387 0.000000\n-2.577305 4.872387 0.000000\n0.000000 1.876633 21.401590\nTi Fe O\n6 14 30\ndirect\n0.204923 0.699940 0.973676 Ti\n0.900597 0.409637 0.866283 Ti\n0.296647 0.803949 0.671644 Ti\n0.409637 0.900597 0.366283 Ti\n0.699940 0.204923 0.473676 Ti\n0.803949 0.296647 0.171644 Ti\n0.495276 0.994467 0.928970 Fe\n0.606130 0.108601 0.770899 Fe\n0.904742 0.402722 0.727264 Fe\n0.006857 0.510185 0.570365 Fe\n0.193714 0.703939 0.830679 Fe\n0.307404 0.803899 0.527972 Fe\n0.592226 0.090413 0.630576 Fe\n0.703939 0.193714 0.330679 Fe\n0.994467 0.495276 0.428970 Fe\n0.090413 0.592226 0.130576 Fe\n0.108601 0.606130 0.270899 Fe\n0.402722 0.904742 0.227264 Fe\n0.510185 0.006857 0.070365 Fe\n0.803899 0.307404 0.027972 Fe\n0.232968 0.434359 0.918677 O\n0.734437 0.850787 0.849302 O\n0.792398 0.947099 0.987946 O\n0.651135 0.407622 0.815049 O\n0.648979 0.550482 0.942123 O\n0.605756 0.850249 0.711590 O\n0.145141 0.001573 0.892756 O\n0.156066 0.239093 0.644183 O\n0.185192 0.354786 0.795454 O\n0.031220 0.829614 0.614482 O\n0.053218 0.935373 0.742985 O\n0.002123 0.258495 0.509560 O\n0.538465 0.392482 0.687770 O\n0.550482 0.648979 0.442123 O\n0.586563 0.755627 0.592907 O\n0.434359 0.232968 0.418677 O\n0.466109 0.326321 0.546886 O\n0.407622 0.651135 0.315049 O\n0.947099 0.792398 0.487946 O\n0.935373 0.053218 0.242985 O\n0.001573 0.145141 0.392756 O\n0.850249 0.605756 0.211590 O\n0.850787 0.734437 0.349302 O\n0.829614 0.031220 0.114482 O\n0.354786 0.185192 0.295454 O\n0.326321 0.466109 0.046886 O\n0.392482 0.538465 0.187770 O\n0.258495 0.002123 0.009560 O\n0.239093 0.156066 0.144183 O\n0.755627 0.586563 0.092907 O\n",
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"formula_full": "Ti6 Fe14 O30",
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{
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"created_at": "2022-09-04T14:42:58.033464Z",
"structure_string": "Tm2 Ga2 Au2\n1.0\n2.249046 5.201267 0.000000\n-2.249046 5.201267 0.000000\n0.000000 4.660829 5.245700\nTm Ga Au\n2 2 2\ndirect\n0.463743 0.463743 0.295820 Tm\n0.536257 0.536257 0.704180 Tm\n0.157983 0.157983 0.891460 Ga\n0.842017 0.842017 0.108540 Ga\n0.821947 0.821947 0.715529 Au\n0.178053 0.178053 0.284471 Au\n",
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"formula_full": "Tm2 Ga2 Au2",
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{
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"created_at": "2022-09-04T14:42:58.523440Z",
"structure_string": "Ca1 Yb3\n1.0\n-2.756690 2.756690 5.349658\n2.756690 -2.756690 5.349658\n2.756690 2.756690 -5.349658\nCa Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.250000 0.750000 0.500000 Yb\n",
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{
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"structure_string": "Li6 Cu2 P4 O16\n1.0\n-5.061337 0.000000 0.000000\n-0.019648 -6.879704 0.000000\n-0.092608 -0.068420 9.825548\nLi Cu P O\n6 2 4 16\ndirect\n0.248110 0.324756 0.003681 Li\n0.250968 0.313768 0.499945 Li\n0.261583 0.684495 0.249491 Li\n0.244899 0.678452 0.750750 Li\n0.740982 0.689660 0.741253 Li\n0.754946 0.309065 0.506289 Li\n0.754794 0.299800 0.996674 Cu\n0.760191 0.701519 0.274220 Cu\n0.003145 0.818009 0.498574 P\n0.002985 0.805124 0.998590 P\n0.487185 0.179862 0.748996 P\n0.501905 0.192939 0.244517 P\n0.002475 0.115518 0.524884 O\n0.009140 0.784991 0.335621 O\n0.182923 0.677005 0.553892 O\n0.191038 0.696718 0.058162 O\n0.313588 0.309871 0.299541 O\n0.307621 0.313027 0.811388 O\n0.507493 0.235217 0.085784 O\n0.495136 0.881774 0.777152 O\n0.504382 0.241258 0.595743 O\n0.512561 0.889970 0.277987 O\n0.673762 0.317037 0.814057 O\n0.685865 0.326660 0.304706 O\n0.811232 0.683881 0.543343 O\n0.821114 0.667175 0.073895 O\n0.989228 0.110500 0.029950 O\n0.981378 0.750944 0.847159 O\n",
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{
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"structure_string": "Co4 P12 O36\n1.0\n5.120312 0.000000 0.000000\n0.000000 11.927023 0.000000\n0.000000 0.000000 12.944712\nCo P O\n4 12 36\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.239283 0.750000 0.000000 P\n0.239283 0.750000 0.500000 P\n0.495962 0.083413 0.631574 P\n0.495962 0.083413 0.868426 P\n0.495962 0.416587 0.131574 P\n0.495962 0.416587 0.368426 P\n0.504038 0.583413 0.631574 P\n0.504038 0.583413 0.868426 P\n0.504038 0.916587 0.131574 P\n0.504038 0.916587 0.368426 P\n0.760717 0.250000 0.000000 P\n0.760717 0.250000 0.500000 P\n0.087522 0.653976 0.045671 O\n0.087522 0.653976 0.454329 O\n0.087522 0.846024 0.545671 O\n0.087522 0.846024 0.954329 O\n0.208248 0.060940 0.618460 O\n0.208248 0.060940 0.881540 O\n0.208248 0.439060 0.118460 O\n0.208248 0.439060 0.381540 O\n0.316171 0.003178 0.091252 O\n0.316171 0.003178 0.408748 O\n0.316171 0.496822 0.591252 O\n0.316171 0.496822 0.908748 O\n0.438479 0.706130 0.586627 O\n0.438479 0.706130 0.913373 O\n0.438479 0.793870 0.086627 O\n0.438479 0.793870 0.413373 O\n0.443774 0.608140 0.750000 O\n0.443774 0.891860 0.250000 O\n0.556226 0.108140 0.750000 O\n0.556226 0.391860 0.250000 O\n0.561521 0.206130 0.586627 O\n0.561521 0.206130 0.913373 O\n0.561521 0.293870 0.086627 O\n0.561521 0.293870 0.413373 O\n0.683829 0.996822 0.591252 O\n0.683829 0.996822 0.908748 O\n0.683829 0.503178 0.091252 O\n0.683829 0.503178 0.408748 O\n0.791752 0.560940 0.618460 O\n0.791752 0.560940 0.881540 O\n0.791752 0.939060 0.118460 O\n0.791752 0.939060 0.381540 O\n0.912478 0.153976 0.045671 O\n0.912478 0.153976 0.454329 O\n0.912478 0.346024 0.545671 O\n0.912478 0.346024 0.954329 O\n",
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"formula_full": "Co4 P12 O36",
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{
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"structure_string": "Mg4 Fe4 Ge8 O24\n1.0\n5.165699 -0.214557 0.923967\n0.760898 6.515204 7.285360\n-1.373577 -6.691657 6.127666\nMg Fe Ge O\n4 4 8 24\ndirect\n0.750000 0.500046 0.228896 Mg\n0.750003 0.000031 0.728901 Mg\n0.250003 0.499975 0.771086 Mg\n0.249970 0.999997 0.271108 Mg\n0.749978 0.000001 0.092338 Fe\n0.250029 0.999993 0.907718 Fe\n0.750074 0.499968 0.592382 Fe\n0.249981 0.499975 0.407617 Fe\n0.785568 0.300915 0.905833 Ge\n0.785503 0.800933 0.405822 Ge\n0.714457 0.699083 0.905796 Ge\n0.714522 0.199071 0.405829 Ge\n0.214433 0.699082 0.094150 Ge\n0.214462 0.199067 0.594200 Ge\n0.285536 0.300920 0.094162 Ge\n0.285459 0.800940 0.594191 Ge\n0.595100 0.359700 0.068982 O\n0.595084 0.859713 0.568959 O\n0.904886 0.640303 0.068960 O\n0.904897 0.140289 0.568973 O\n0.404900 0.640303 0.931020 O\n0.404908 0.140292 0.431038 O\n0.095111 0.359697 0.931032 O\n0.095093 0.859716 0.431034 O\n0.114472 0.385193 0.238957 O\n0.114505 0.885221 0.739021 O\n0.385488 0.614809 0.238942 O\n0.385481 0.114790 0.739008 O\n0.885520 0.614795 0.761025 O\n0.885501 0.114787 0.260991 O\n0.614524 0.385194 0.761045 O\n0.614519 0.885209 0.260996 O\n0.858638 0.118030 0.905155 O\n0.858620 0.618055 0.405130 O\n0.641378 0.881968 0.905138 O\n0.641388 0.381948 0.405159 O\n0.141354 0.881972 0.094864 O\n0.141407 0.381938 0.594855 O\n0.358626 0.118032 0.094865 O\n0.358623 0.618050 0.594823 O\n",
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{
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"structure_string": "Ba3 Sm1\n1.0\n-2.990642 2.990642 5.925519\n2.990642 -2.990642 5.925519\n2.990642 2.990642 -5.925519\nBa Sm\n3 1\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Sm\n",
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{
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"structure_string": "Mn3 Be6 Fe6 P12 O66\n1.0\n4.984953 -8.634193 0.000000\n4.984953 8.634193 0.000000\n0.000000 0.000000 16.816970\nMn Be Fe P O\n3 6 6 12 66\ndirect\n0.045552 0.983209 0.467426 Mn\n0.016791 0.062343 0.800760 Mn\n0.937657 0.954448 0.134093 Mn\n0.779119 0.077545 0.397117 Be\n0.922455 0.701575 0.730451 Be\n0.298425 0.220881 0.063784 Be\n0.215473 0.315255 0.272786 Be\n0.684745 0.900218 0.606119 Be\n0.099782 0.784527 0.939453 Be\n0.532301 0.421626 0.456256 Fe\n0.578374 0.110675 0.789589 Fe\n0.889325 0.467699 0.122922 Fe\n0.445462 0.875479 0.238840 Fe\n0.124521 0.569983 0.572174 Fe\n0.430017 0.554538 0.905507 Fe\n0.183779 0.360837 0.442331 P\n0.639163 0.822942 0.775664 P\n0.177058 0.816221 0.108998 P\n0.796711 0.170021 0.228807 P\n0.829979 0.626690 0.562140 P\n0.373310 0.203289 0.895473 P\n0.687070 0.782019 0.466899 P\n0.217981 0.905050 0.800233 P\n0.094950 0.312930 0.133566 P\n0.320106 0.119433 0.203044 P\n0.880567 0.200673 0.536377 P\n0.799327 0.679894 0.869710 P\n0.031343 0.206101 0.484504 O\n0.793899 0.825241 0.817838 O\n0.174759 0.968657 0.151171 O\n0.947822 0.169424 0.183569 O\n0.830576 0.778399 0.516903 O\n0.221601 0.052178 0.850236 O\n0.193421 0.505369 0.474605 O\n0.494631 0.688052 0.807939 O\n0.311948 0.806579 0.141272 O\n0.818431 0.330254 0.211851 O\n0.669746 0.488177 0.545184 O\n0.511823 0.181569 0.878517 O\n0.311986 0.325862 0.466436 O\n0.674138 0.986123 0.799769 O\n0.013877 0.688014 0.133103 O\n0.659516 0.032749 0.192347 O\n0.967251 0.626767 0.525681 O\n0.373233 0.340484 0.859014 O\n0.159195 0.342527 0.352696 O\n0.657473 0.816668 0.686029 O\n0.183332 0.840805 0.019363 O\n0.820610 0.154074 0.316769 O\n0.845926 0.666536 0.650102 O\n0.333464 0.179390 0.983435 O\n0.594547 0.810107 0.530106 O\n0.189893 0.784440 0.863439 O\n0.215560 0.405453 0.196772 O\n0.401763 0.237621 0.136168 O\n0.762379 0.164142 0.469501 O\n0.835858 0.598237 0.802834 O\n0.250210 0.887957 0.388324 O\n0.112043 0.362253 0.721658 O\n0.637747 0.749790 0.054991 O\n0.780582 0.665560 0.248492 O\n0.334440 0.115022 0.581825 O\n0.884978 0.219418 0.915159 O\n0.598721 0.634965 0.419849 O\n0.365035 0.963756 0.753182 O\n0.036244 0.401279 0.086515 O\n0.414792 0.064082 0.245337 O\n0.935918 0.350710 0.578670 O\n0.649290 0.585208 0.912003 O\n0.789386 0.926350 0.414667 O\n0.073650 0.863037 0.748000 O\n0.136963 0.210614 0.081333 O\n0.232728 0.170220 0.259494 O\n0.829780 0.062508 0.592827 O\n0.937492 0.767272 0.926161 O\n0.540034 0.239145 0.404438 O\n0.760855 0.300889 0.737771 O\n0.699111 0.459966 0.071105 O\n0.493321 0.744552 0.273170 O\n0.255448 0.748769 0.606504 O\n0.251231 0.506679 0.939837 O\n0.613520 0.364026 0.358636 O\n0.635974 0.249495 0.691970 O\n0.750505 0.386480 0.025303 O\n0.261105 0.795485 0.337038 O\n0.204515 0.465620 0.670371 O\n0.534380 0.738895 0.003705 O\n0.107023 0.892965 0.379218 O\n0.107035 0.214058 0.712552 O\n0.785942 0.892977 0.045885 O\n0.861873 0.810604 0.248802 O\n0.189396 0.051270 0.582135 O\n0.948730 0.138127 0.915468 O\n",
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"formula_full": "Mn3 Be6 Fe6 P12 O66",
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{
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"structure_string": "Li1 Mg17 Al11\n1.0\n7.363121 5.274164 0.000000\n-7.363121 5.274164 0.000000\n0.000000 5.166569 7.525986\nLi Mg Al\n1 17 11\ndirect\n0.365874 0.365874 0.818157 Li\n0.997911 0.997911 0.655152 Mg\n0.684448 0.684448 0.713353 Mg\n0.001308 0.001308 0.999139 Mg\n0.655576 0.655576 0.345128 Mg\n0.397008 0.397008 0.285884 Mg\n0.601634 0.315644 0.000046 Mg\n0.712321 0.397114 0.602896 Mg\n0.317163 0.001430 0.400008 Mg\n0.344265 0.000566 0.999621 Mg\n0.684713 0.286665 0.315465 Mg\n0.000195 0.601023 0.684010 Mg\n0.601023 0.000195 0.684010 Mg\n0.286665 0.684713 0.315465 Mg\n0.000566 0.344265 0.999621 Mg\n0.001430 0.317163 0.400008 Mg\n0.397114 0.712321 0.602896 Mg\n0.315644 0.601634 0.000046 Mg\n0.184807 0.184807 0.178720 Al\n0.814920 0.632935 0.002438 Al\n0.366286 0.180901 0.631115 Al\n0.001883 0.816319 0.366783 Al\n0.182499 0.819575 0.815372 Al\n0.000046 0.634969 0.184483 Al\n0.634969 0.000046 0.184483 Al\n0.819575 0.182499 0.815372 Al\n0.816319 0.001883 0.366783 Al\n0.180901 0.366286 0.631115 Al\n0.632935 0.814920 0.002438 Al\n",
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]
}