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{
"id": "mp-1103553",
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{
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"structure_string": "Cr16 O24\n1.0\n-4.718437 4.718437 4.718437\n4.718437 -4.718437 4.718437\n4.718437 4.718437 -4.718437\nCr O\n16 24\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.538377 0.288377 0.250000 Cr\n0.038377 0.788377 0.250000 Cr\n0.788377 0.250000 0.038377 Cr\n0.211623 0.750000 0.961623 Cr\n0.750000 0.461623 0.711623 Cr\n0.750000 0.961623 0.211623 Cr\n0.250000 0.538377 0.288377 Cr\n0.250000 0.038377 0.788377 Cr\n0.711623 0.750000 0.461623 Cr\n0.288377 0.250000 0.538377 Cr\n0.461623 0.711623 0.750000 Cr\n0.961623 0.211623 0.750000 Cr\n0.005467 0.458516 0.732132 O\n0.726384 0.958516 0.953049 O\n0.773616 0.726665 0.232132 O\n0.494533 0.226665 0.453049 O\n0.453049 0.494533 0.226665 O\n0.267868 0.994533 0.541484 O\n0.046951 0.273616 0.041484 O\n0.232132 0.773616 0.726665 O\n0.041484 0.046951 0.273616 O\n0.773335 0.546951 0.505467 O\n0.726665 0.232132 0.773616 O\n0.458516 0.732132 0.005467 O\n0.226665 0.453049 0.494533 O\n0.958516 0.953049 0.726384 O\n0.541484 0.267868 0.994533 O\n0.273335 0.767868 0.226384 O\n0.732132 0.005467 0.458516 O\n0.546951 0.505467 0.773335 O\n0.953049 0.726384 0.958516 O\n0.767868 0.226384 0.273335 O\n0.994533 0.541484 0.267868 O\n0.273616 0.041484 0.046951 O\n0.505467 0.773335 0.546951 O\n0.226384 0.273335 0.767868 O\n",
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"formula_full": "Cr16 O24",
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},
{
"id": "mp-1224723",
"created_at": "2022-09-04T14:41:54.463122Z",
"structure_string": "Gd3 Y13 O24\n1.0\n5.367127 7.590329 0.000000\n-5.367127 7.590329 0.000000\n0.000000 7.590053 7.585956\nGd Y O\n3 13 24\ndirect\n0.750273 0.750218 0.467221 Gd\n0.249782 0.249727 0.532779 Gd\n0.467767 0.532233 0.000000 Gd\n0.000949 0.500045 0.750417 Y\n0.499903 0.000691 0.750515 Y\n0.499955 0.999051 0.249583 Y\n0.999309 0.500097 0.249485 Y\n0.032999 0.967001 0.500000 Y\n0.784100 0.283122 0.216821 Y\n0.716878 0.215900 0.783179 Y\n0.249577 0.249379 0.032845 Y\n0.750621 0.750423 0.967155 Y\n0.532996 0.467004 0.500000 Y\n0.966884 0.033116 0.000000 Y\n0.217623 0.718370 0.282351 Y\n0.281630 0.782377 0.717649 Y\n0.031340 0.728779 0.760793 O\n0.469090 0.773092 0.021043 O\n0.271221 0.968660 0.239207 O\n0.226908 0.530910 0.978957 O\n0.739467 0.957253 0.021592 O\n0.042747 0.260533 0.978408 O\n0.457507 0.239230 0.781602 O\n0.760770 0.542493 0.218398 O\n0.228938 0.987665 0.793892 O\n0.487746 0.728807 0.489567 O\n0.271193 0.512254 0.510433 O\n0.012335 0.771062 0.206108 O\n0.966060 0.272120 0.741480 O\n0.533769 0.228172 0.479450 O\n0.727880 0.033940 0.258520 O\n0.771828 0.466231 0.520550 O\n0.261159 0.040332 0.478056 O\n0.959668 0.738841 0.521944 O\n0.540146 0.763574 0.718455 O\n0.236426 0.459854 0.281545 O\n0.770815 0.010338 0.707767 O\n0.510434 0.268355 0.011066 O\n0.731645 0.489566 0.988934 O\n0.989662 0.229185 0.292233 O\n",
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"formula_full": "Gd3 Y13 O24",
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{
"id": "mp-1177772",
"created_at": "2022-09-04T14:41:54.303399Z",
"structure_string": "Li3 Cr2 Fe3 O10\n1.0\n5.099497 0.000000 0.000000\n1.044529 5.075360 0.000000\n2.387253 1.888788 7.180485\nLi Cr Fe O\n3 2 3 10\ndirect\n0.504005 0.777031 0.407562 Li\n0.000000 0.500000 0.500000 Li\n0.495995 0.222969 0.592438 Li\n0.020352 0.894052 0.687372 Cr\n0.979648 0.105948 0.312628 Cr\n0.500000 0.000000 0.000000 Fe\n0.023715 0.685365 0.104724 Fe\n0.976285 0.314635 0.895276 Fe\n0.235430 0.957676 0.856693 O\n0.787531 0.885800 0.523392 O\n0.785965 0.679275 0.936167 O\n0.247932 0.799552 0.234368 O\n0.202927 0.549455 0.663075 O\n0.797073 0.450545 0.336925 O\n0.752068 0.200448 0.765632 O\n0.214035 0.320725 0.063833 O\n0.212469 0.114200 0.476608 O\n0.764570 0.042324 0.143307 O\n",
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"elements": [
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"formula_full": "Li3 Cr2 Fe3 O10",
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{
"id": "mp-1038368",
"created_at": "2022-09-04T14:41:54.464489Z",
"structure_string": "Hf1 Mg30 C1 O32\n1.0\n8.645222 0.000000 0.000000\n0.000000 8.645222 0.000000\n0.000000 0.000000 8.486641\nHf Mg C O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Hf\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.234419 0.234419 0.000000 Mg\n0.765581 0.234419 0.000000 Mg\n0.234419 0.765581 0.000000 Mg\n0.765581 0.765581 0.000000 Mg\n0.247082 0.247082 0.500000 Mg\n0.752918 0.247082 0.500000 Mg\n0.247082 0.752918 0.500000 Mg\n0.752918 0.752918 0.500000 Mg\n0.245184 0.000000 0.244910 Mg\n0.754816 0.000000 0.244910 Mg\n0.241251 0.500000 0.254610 Mg\n0.758749 0.500000 0.254610 Mg\n0.245184 0.000000 0.755090 Mg\n0.754816 0.000000 0.755090 Mg\n0.241251 0.500000 0.745390 Mg\n0.758749 0.500000 0.745390 Mg\n0.000000 0.245184 0.244910 Mg\n0.500000 0.241251 0.254610 Mg\n0.000000 0.754816 0.244910 Mg\n0.500000 0.758749 0.254610 Mg\n0.000000 0.245184 0.755090 Mg\n0.500000 0.241251 0.745390 Mg\n0.000000 0.754816 0.755090 Mg\n0.500000 0.758749 0.745390 Mg\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.261998 O\n0.500000 0.000000 0.255047 O\n0.000000 0.500000 0.255047 O\n0.500000 0.500000 0.247182 O\n0.000000 0.000000 0.738002 O\n0.500000 0.000000 0.744953 O\n0.000000 0.500000 0.744953 O\n0.500000 0.500000 0.752818 O\n0.250937 0.250937 0.248967 O\n0.749063 0.250937 0.248967 O\n0.250937 0.749063 0.248967 O\n0.749063 0.749063 0.248967 O\n0.250937 0.250937 0.751033 O\n0.749063 0.250937 0.751033 O\n0.250937 0.749063 0.751033 O\n0.749063 0.749063 0.751033 O\n0.281230 0.000000 0.000000 O\n0.718770 0.000000 0.000000 O\n0.259082 0.500000 0.000000 O\n0.740918 0.500000 0.000000 O\n0.251719 0.000000 0.500000 O\n0.748281 0.000000 0.500000 O\n0.252778 0.500000 0.500000 O\n0.747222 0.500000 0.500000 O\n0.000000 0.281230 0.000000 O\n0.500000 0.259082 0.000000 O\n0.000000 0.718770 0.000000 O\n0.500000 0.740918 0.000000 O\n0.000000 0.251719 0.500000 O\n0.500000 0.252778 0.500000 O\n0.000000 0.748281 0.500000 O\n0.500000 0.747222 0.500000 O\n",
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"formula_full": "Hf1 Mg30 C1 O32",
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{
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"structure_string": "V2 H4 O4\n1.0\n3.324373 0.000000 0.000000\n0.000000 4.925314 0.000000\n0.000000 0.000000 5.410334\nV H O\n2 4 4\ndirect\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.493862 0.666339 H\n0.500000 0.506138 0.333661 H\n0.000000 0.006138 0.166339 H\n0.000000 0.993862 0.833661 H\n0.500000 0.342285 0.231371 O\n0.000000 0.157715 0.731371 O\n0.000000 0.842285 0.268629 O\n0.500000 0.657715 0.768629 O\n",
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"formula_full": "V2 H4 O4",
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{
"id": "mp-771912",
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"structure_string": "Li8 Cr4 C8 S2 O32\n1.0\n0.000000 6.614623 7.020935\n6.474744 0.000000 7.020935\n6.474744 6.614623 0.000000\nLi Cr C S O\n8 4 8 2 32\ndirect\n0.952285 0.547715 0.952285 Li\n0.953872 0.546128 0.546128 Li\n0.703872 0.296128 0.296128 Li\n0.702285 0.297715 0.702285 Li\n0.547715 0.952285 0.547715 Li\n0.546128 0.953872 0.953872 Li\n0.296128 0.703872 0.703872 Li\n0.297715 0.702285 0.297715 Li\n0.125000 0.625000 0.125000 Cr\n0.625000 0.125000 0.125000 Cr\n0.125000 0.125000 0.125000 Cr\n0.125000 0.125000 0.625000 Cr\n0.895936 0.276112 0.916765 C\n0.973888 0.354064 0.338814 C\n0.916765 0.911186 0.895936 C\n0.911186 0.916765 0.276112 C\n0.338814 0.333235 0.973888 C\n0.333235 0.338814 0.354064 C\n0.276112 0.895936 0.911186 C\n0.354064 0.973888 0.333235 C\n0.500000 0.500000 0.500000 S\n0.750000 0.750000 0.750000 S\n0.017767 0.281864 0.934698 O\n0.558679 0.556308 0.306319 O\n0.758655 0.268004 0.045003 O\n0.981996 0.491345 0.321663 O\n0.045003 0.928337 0.758655 O\n0.967536 0.336861 0.211238 O\n0.306319 0.578693 0.558679 O\n0.556308 0.558679 0.578693 O\n0.484365 0.211238 0.336861 O\n0.928337 0.045003 0.268004 O\n0.968136 0.232233 0.484329 O\n0.578693 0.306319 0.556308 O\n0.934698 0.765671 0.017767 O\n0.765671 0.934698 0.281864 O\n0.913139 0.282464 0.765635 O\n0.211238 0.484365 0.967536 O\n0.038762 0.765635 0.282464 O\n0.336861 0.967536 0.484365 O\n0.484329 0.315302 0.968136 O\n0.315302 0.484329 0.232233 O\n0.671307 0.943681 0.693692 O\n0.281864 0.017767 0.765671 O\n0.321663 0.204997 0.981996 O\n0.765635 0.038762 0.913139 O\n0.693692 0.691321 0.671307 O\n0.943681 0.671307 0.691321 O\n0.282464 0.913139 0.038762 O\n0.204997 0.321663 0.491345 O\n0.268004 0.758655 0.928337 O\n0.491345 0.981996 0.204997 O\n0.691321 0.693692 0.943681 O\n0.232233 0.968136 0.315302 O\n",
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{
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"structure_string": "Al10 O15\n1.0\n2.512055 0.000508 1.445994\n0.837831 2.368219 1.445994\n-4.734383 -3.347716 51.565606\nAl O\n10 15\ndirect\n0.796092 0.796092 0.240777 Al\n0.217982 0.217982 0.356410 Al\n0.701053 0.701053 0.526573 Al\n0.584537 0.584537 0.616406 Al\n0.616705 0.616705 0.676764 Al\n0.547881 0.547881 0.756903 Al\n0.477846 0.477846 0.837687 Al\n0.510506 0.510506 0.898013 Al\n0.397782 0.397782 0.990155 Al\n0.406638 0.406638 0.052251 Al\n0.876510 0.876510 0.021312 O\n0.000993 0.000993 0.066489 O\n0.962578 0.962578 0.140820 O\n0.989373 0.989373 0.202234 O\n0.058064 0.058064 0.255152 O\n0.024850 0.024850 0.395082 O\n0.956271 0.956271 0.341995 O\n0.889863 0.889863 0.488207 O\n0.958156 0.958156 0.541898 O\n0.987658 0.987658 0.602389 O\n0.206608 0.206608 0.692175 O\n0.096091 0.096091 0.647456 O\n0.995672 0.995672 0.867545 O\n0.885784 0.885784 0.822705 O\n0.104506 0.104506 0.912606 O\n",
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