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{
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{
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{
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"structure_string": "Hf1 Mg30 Ni1 O32\n1.0\n8.557810 0.000000 0.000000\n0.000000 8.557810 0.000000\n0.000000 0.000000 8.663110\nHf Mg Ni O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Hf\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.253092 0.239559 Mg\n0.000000 0.253092 0.760441 Mg\n0.000000 0.746908 0.239559 Mg\n0.000000 0.746908 0.760441 Mg\n0.500000 0.250341 0.247695 Mg\n0.500000 0.250341 0.752305 Mg\n0.500000 0.749659 0.247695 Mg\n0.500000 0.749659 0.752305 Mg\n0.253092 0.000000 0.239559 Mg\n0.253092 0.000000 0.760441 Mg\n0.250341 0.500000 0.247695 Mg\n0.250341 0.500000 0.752305 Mg\n0.746908 0.000000 0.239559 Mg\n0.746908 0.000000 0.760441 Mg\n0.749659 0.500000 0.247695 Mg\n0.749659 0.500000 0.752305 Mg\n0.249039 0.249039 0.000000 Mg\n0.255967 0.255967 0.500000 Mg\n0.249039 0.750961 0.000000 Mg\n0.255967 0.744033 0.500000 Mg\n0.750961 0.249039 0.000000 Mg\n0.744033 0.255967 0.500000 Mg\n0.750961 0.750961 0.000000 Mg\n0.744033 0.744033 0.500000 Mg\n0.000000 0.000000 0.000000 Ni\n0.260689 0.000000 0.000000 O\n0.246292 0.000000 0.500000 O\n0.251248 0.500000 0.000000 O\n0.249169 0.500000 0.500000 O\n0.739311 0.000000 0.000000 O\n0.753708 0.000000 0.500000 O\n0.748752 0.500000 0.000000 O\n0.750831 0.500000 0.500000 O\n0.248788 0.248788 0.250776 O\n0.248788 0.248788 0.749224 O\n0.248788 0.751212 0.250776 O\n0.248788 0.751212 0.749224 O\n0.751212 0.248788 0.250776 O\n0.751212 0.248788 0.749224 O\n0.751212 0.751212 0.250776 O\n0.751212 0.751212 0.749224 O\n0.000000 0.000000 0.265353 O\n0.000000 0.000000 0.734647 O\n0.000000 0.500000 0.253621 O\n0.000000 0.500000 0.746379 O\n0.500000 0.000000 0.253621 O\n0.500000 0.000000 0.746379 O\n0.500000 0.500000 0.251581 O\n0.500000 0.500000 0.748419 O\n0.000000 0.260689 0.000000 O\n0.000000 0.246292 0.500000 O\n0.000000 0.739311 0.000000 O\n0.000000 0.753708 0.500000 O\n0.500000 0.251248 0.000000 O\n0.500000 0.249169 0.500000 O\n0.500000 0.748752 0.000000 O\n0.500000 0.750831 0.500000 O\n",
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"spacegroup": 123
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{
"id": "mp-1177705",
"created_at": "2022-09-04T14:48:28.853131Z",
"structure_string": "Li12 Co4 P4 C4 O28\n1.0\n6.449428 0.000000 0.000000\n-0.049640 8.455243 0.000000\n-0.056409 -0.897642 9.924943\nLi Co P C O\n12 4 4 4 28\ndirect\n0.744290 0.908586 0.383947 Li\n0.744065 0.901050 0.881941 Li\n0.522035 0.718550 0.124161 Li\n0.981589 0.725589 0.626817 Li\n0.525556 0.723059 0.624933 Li\n0.749722 0.340957 0.106724 Li\n0.486438 0.275997 0.365260 Li\n0.013666 0.278024 0.364770 Li\n0.488362 0.275915 0.887021 Li\n0.006360 0.274080 0.885112 Li\n0.250537 0.108892 0.109067 Li\n0.250967 0.101589 0.615449 Li\n0.986400 0.732029 0.128403 Co\n0.250357 0.663925 0.396740 Co\n0.255730 0.661756 0.891439 Co\n0.750863 0.332148 0.605086 Co\n0.753072 0.589918 0.361673 P\n0.749651 0.582434 0.861176 P\n0.246475 0.409746 0.139193 P\n0.251178 0.412522 0.637741 P\n0.243618 0.960566 0.346849 C\n0.247189 0.961553 0.850730 C\n0.752464 0.037710 0.149035 C\n0.750541 0.038584 0.651519 C\n0.251315 0.928152 0.470366 O\n0.760013 0.885649 0.181130 O\n0.248794 0.926396 0.975214 O\n0.237279 0.837809 0.253525 O\n0.748569 0.892182 0.681682 O\n0.242126 0.844326 0.755722 O\n0.938617 0.693712 0.419796 O\n0.563375 0.693010 0.410300 O\n0.939707 0.687341 0.918379 O\n0.565824 0.691052 0.912830 O\n0.243324 0.580698 0.087007 O\n0.764542 0.574671 0.204352 O\n0.254151 0.579882 0.586834 O\n0.755429 0.569131 0.704088 O\n0.246558 0.434913 0.297119 O\n0.747863 0.422226 0.410762 O\n0.249646 0.433456 0.795125 O\n0.746854 0.418929 0.913191 O\n0.058446 0.307904 0.088719 O\n0.439541 0.316020 0.089924 O\n0.437800 0.308403 0.585948 O\n0.062998 0.308863 0.583820 O\n0.744767 0.145527 0.247822 O\n0.246205 0.103103 0.311071 O\n0.754891 0.154866 0.746516 O\n0.750752 0.065332 0.025739 O\n0.251811 0.107050 0.820240 O\n0.747681 0.074218 0.527990 O\n",
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"formula_full": "Li12 Co4 P4 C4 O28",
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{
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"structure_string": "Li2 Fe8 B8 O24\n1.0\n5.337775 0.000000 0.000000\n0.065245 9.039669 0.000000\n0.098252 0.040528 10.130094\nLi Fe B O\n2 8 8 24\ndirect\n0.650280 0.002559 0.895509 Li\n0.850356 0.511772 0.653977 Li\n0.158460 0.825602 0.876686 Fe\n0.839900 0.848134 0.625539 Fe\n0.338409 0.666736 0.133324 Fe\n0.658023 0.666343 0.380825 Fe\n0.340759 0.325135 0.627260 Fe\n0.161041 0.165639 0.375040 Fe\n0.650472 0.343302 0.880287 Fe\n0.843360 0.167483 0.127030 Fe\n0.159422 0.829145 0.375959 B\n0.337588 0.658775 0.631438 B\n0.827703 0.830458 0.124808 B\n0.666136 0.679651 0.876143 B\n0.337291 0.330730 0.130538 B\n0.668319 0.328712 0.377778 B\n0.160724 0.158396 0.874848 B\n0.831030 0.180945 0.629089 B\n0.254688 0.967451 0.370550 O\n0.069910 0.800080 0.078350 O\n0.729671 0.969533 0.111363 O\n0.207407 0.778973 0.684626 O\n0.302597 0.706442 0.333696 O\n0.795145 0.810684 0.845808 O\n0.919082 0.804275 0.423968 O\n0.430268 0.696292 0.937818 O\n0.218971 0.523815 0.627243 O\n0.582395 0.674834 0.582517 O\n0.690232 0.714126 0.179468 O\n0.241706 0.469394 0.135612 O\n0.760107 0.546698 0.842877 O\n0.286511 0.278183 0.820163 O\n0.428691 0.298470 0.427807 O\n0.761297 0.467174 0.381721 O\n0.578167 0.304604 0.081569 O\n0.069728 0.196564 0.569307 O\n0.197185 0.208284 0.173460 O\n0.704631 0.314260 0.661197 O\n0.807564 0.208865 0.326666 O\n0.279768 0.022995 0.881263 O\n0.915189 0.175859 0.924690 O\n0.729702 0.050155 0.656111 O\n",
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{
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"structure_string": "Sr10 Fe3 Co2 Mo5 O30\n1.0\n8.033307 0.000000 0.000000\n4.016276 8.890865 0.000000\n4.013327 0.174958 9.026424\nSr Fe Co Mo O\n10 3 2 5 30\ndirect\n0.147950 0.401191 0.299850 Sr\n0.754153 0.000449 0.500177 Sr\n0.948346 0.203891 0.899503 Sr\n0.550190 0.796325 0.101614 Sr\n0.347975 0.599206 0.701073 Sr\n0.652025 0.400794 0.298927 Sr\n0.245847 0.999551 0.499823 Sr\n0.449810 0.203675 0.898386 Sr\n0.051654 0.796109 0.100497 Sr\n0.852050 0.598809 0.700150 Sr\n0.299776 0.301158 0.600138 Fe\n0.500000 0.500000 0.000000 Fe\n0.700224 0.698842 0.399862 Fe\n0.900756 0.898580 0.799890 Co\n0.099244 0.101420 0.200110 Co\n0.801440 0.297393 0.600445 Mo\n0.398897 0.900867 0.801125 Mo\n0.601103 0.099133 0.198875 Mo\n0.198560 0.702607 0.399555 Mo\n0.000000 0.500000 0.000000 Mo\n0.848923 0.600979 0.201425 O\n0.454094 0.197457 0.394373 O\n0.649620 0.399235 0.801082 O\n0.255526 0.996404 0.992512 O\n0.052163 0.799202 0.597369 O\n0.947837 0.200798 0.402631 O\n0.545906 0.802543 0.605627 O\n0.744474 0.003596 0.007488 O\n0.350380 0.600765 0.198918 O\n0.151077 0.399021 0.798575 O\n0.119038 0.892716 0.299885 O\n0.316139 0.095568 0.700503 O\n0.515887 0.295114 0.102784 O\n0.713523 0.496502 0.504830 O\n0.918062 0.693118 0.904719 O\n0.081938 0.306882 0.095281 O\n0.286477 0.503498 0.495170 O\n0.484113 0.704886 0.897216 O\n0.683861 0.904432 0.299497 O\n0.880962 0.107284 0.700115 O\n0.243352 0.528169 0.985864 O\n0.443608 0.728668 0.386634 O\n0.629645 0.928301 0.787285 O\n0.831029 0.127997 0.184653 O\n0.045130 0.327103 0.585037 O\n0.756648 0.471831 0.014136 O\n0.954870 0.672897 0.414963 O\n0.168971 0.872003 0.815347 O\n0.370355 0.071699 0.212715 O\n0.556392 0.271332 0.613366 O\n",
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{
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{
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{
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{
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}