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{
"id": "mp-753282",
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"structure_string": "Li8 Mn4 O4 F12\n1.0\n-0.070764 4.206387 4.206366\n-8.459739 0.071547 0.071553\n-0.000006 -4.272399 4.272413\nLi Mn O F\n8 4 4 12\ndirect\n0.999986 0.999999 0.500012 Li\n0.499983 0.500012 0.000012 Li\n0.499981 0.999996 0.500018 Li\n0.999988 0.500009 0.000018 Li\n0.717243 0.376209 0.500014 Li\n0.217236 0.876209 0.000013 Li\n0.782736 0.123799 0.000015 Li\n0.282726 0.623792 0.500013 Li\n0.750427 0.749970 0.749661 Mn\n0.749915 0.749938 0.250091 Mn\n0.250474 0.249934 0.250055 Mn\n0.249512 0.250089 0.749844 Mn\n0.056653 0.254633 0.000033 O\n0.556643 0.754630 0.500013 O\n0.443335 0.245376 0.500031 O\n0.943332 0.745372 0.000010 O\n0.513056 0.258657 0.000009 F\n0.013073 0.758652 0.500011 F\n0.986907 0.241350 0.500009 F\n0.486914 0.741354 0.000008 F\n0.253852 0.485863 0.761971 F\n0.753858 0.985848 0.261976 F\n0.253860 0.485855 0.238059 F\n0.753865 0.985850 0.738048 F\n0.246116 0.014146 0.261980 F\n0.746114 0.514152 0.761966 F\n0.246107 0.014153 0.738051 F\n0.746109 0.514151 0.238059 F\n",
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{
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"formula_full": "Li9 Co7 O16",
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"energy": -200.35422906,
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},
{
"id": "mp-558534",
"created_at": "2022-09-04T14:41:48.448702Z",
"structure_string": "Tm12 B20 O48\n1.0\n4.617533 0.000000 0.000000\n0.000000 12.538037 0.000000\n0.000000 0.000000 12.843995\nTm B O\n12 20 48\ndirect\n0.999282 0.807146 0.864605 Tm\n0.000000 0.000000 0.632164 Tm\n0.000718 0.192854 0.135395 Tm\n0.999282 0.807146 0.135395 Tm\n0.000000 0.500000 0.132164 Tm\n0.999282 0.692854 0.364605 Tm\n0.000718 0.307146 0.364605 Tm\n0.000718 0.192854 0.864605 Tm\n0.000000 0.000000 0.367836 Tm\n0.000000 0.500000 0.867836 Tm\n0.000718 0.307146 0.635395 Tm\n0.999282 0.692854 0.635395 Tm\n0.500000 0.000000 0.161781 B\n0.529622 0.151292 0.298172 B\n0.470378 0.651292 0.798172 B\n0.470378 0.848708 0.701828 B\n0.456347 0.374106 0.500000 B\n0.500000 0.500000 0.661781 B\n0.543653 0.625894 0.500000 B\n0.543653 0.874106 0.000000 B\n0.540224 0.849935 0.500000 B\n0.529622 0.348708 0.201828 B\n0.500000 0.500000 0.338219 B\n0.500000 0.000000 0.838219 B\n0.459776 0.349935 0.000000 B\n0.540224 0.650065 0.000000 B\n0.529622 0.348708 0.798172 B\n0.470378 0.651292 0.201828 B\n0.459776 0.150065 0.500000 B\n0.470378 0.848708 0.298172 B\n0.529622 0.151292 0.701828 B\n0.456347 0.125894 0.000000 B\n0.310334 0.935268 0.766490 O\n0.689666 0.064732 0.766490 O\n0.334379 0.426055 0.403952 O\n0.758575 0.360355 0.500000 O\n0.241425 0.639645 0.500000 O\n0.343066 0.854644 0.594882 O\n0.656934 0.145356 0.594882 O\n0.698147 0.762320 0.000000 O\n0.219404 0.348071 0.795711 O\n0.656934 0.354644 0.094882 O\n0.301853 0.237680 0.000000 O\n0.310334 0.564732 0.266490 O\n0.689666 0.435268 0.733510 O\n0.343066 0.854644 0.405118 O\n0.780596 0.651929 0.204289 O\n0.658153 0.250000 0.750000 O\n0.334379 0.426055 0.596048 O\n0.310334 0.564732 0.733510 O\n0.343066 0.645356 0.094882 O\n0.219404 0.151929 0.704289 O\n0.656934 0.354644 0.905118 O\n0.341847 0.750000 0.750000 O\n0.219404 0.151929 0.295711 O\n0.665621 0.926055 0.096048 O\n0.656934 0.145356 0.405118 O\n0.658153 0.250000 0.250000 O\n0.665621 0.573945 0.403952 O\n0.758575 0.139645 0.000000 O\n0.689666 0.064732 0.233510 O\n0.698147 0.737680 0.500000 O\n0.343066 0.645356 0.905118 O\n0.238788 0.070915 0.500000 O\n0.665621 0.573945 0.596048 O\n0.241425 0.860355 0.000000 O\n0.780596 0.848071 0.295711 O\n0.665621 0.926055 0.903952 O\n0.780596 0.651929 0.795711 O\n0.301853 0.262320 0.500000 O\n0.761212 0.570915 0.000000 O\n0.310334 0.935268 0.233510 O\n0.334379 0.073945 0.096048 O\n0.761212 0.929085 0.500000 O\n0.238788 0.429085 0.000000 O\n0.341847 0.750000 0.250000 O\n0.219404 0.348071 0.204289 O\n0.780596 0.848071 0.704289 O\n0.689666 0.435268 0.266490 O\n0.334379 0.073945 0.903952 O\n",
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"volume": 743.6005166233504,
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"formula_full": "Tm12 B20 O48",
"formula_reduced": "Tm3B5O12",
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"energy": -694.97299579,
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{
"id": "mp-1096920",
"created_at": "2022-09-04T14:41:48.486681Z",
"structure_string": "Cr3 O5\n1.0\n4.809790 0.000000 0.000000\n-2.220032 4.797089 0.000000\n-0.152184 -2.351792 4.742660\nCr O\n3 5\ndirect\n0.852247 0.765376 0.560855 Cr\n0.210783 0.307519 0.465947 Cr\n0.271607 0.623139 0.016152 Cr\n0.111687 0.872182 0.282654 O\n0.480637 0.524824 0.273671 O\n0.981913 0.178410 0.753111 O\n0.568296 0.569944 0.772451 O\n0.122521 0.659161 0.674236 O\n",
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{
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"structure_string": "Eu2 B1 Pd6\n1.0\n4.344496 0.000000 0.000000\n0.000000 4.344496 0.000000\n0.000000 0.000000 8.314714\nEu B Pd\n2 1 6\ndirect\n0.000000 0.000000 0.989113 Eu\n0.000000 0.000000 0.510887 Eu\n0.500000 0.500000 0.250000 B\n0.000000 0.500000 0.250000 Pd\n0.000000 0.500000 0.750000 Pd\n0.500000 0.500000 0.994168 Pd\n0.500000 0.500000 0.505832 Pd\n0.500000 0.000000 0.250000 Pd\n0.500000 0.000000 0.750000 Pd\n",
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{
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{
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"structure_string": "Ta8 Cr3 O24\n1.0\n-3.370511 3.386865 9.284283\n3.370511 -3.386865 9.284283\n3.370511 3.386865 -9.284283\nTa Cr O\n8 3 24\ndirect\n0.323964 0.823964 0.500000 Ta\n0.152531 0.652531 0.500000 Ta\n0.500490 0.000490 0.500000 Ta\n0.084317 0.084317 0.000000 Ta\n0.914793 0.914793 0.000000 Ta\n0.422688 0.422688 0.000000 Ta\n0.834582 0.334582 0.500000 Ta\n0.672139 0.172139 0.500000 Ta\n0.252752 0.252752 0.000000 Cr\n0.742825 0.742825 0.000000 Cr\n0.000087 0.500087 0.500000 Cr\n0.489348 0.275082 0.785734 O\n0.999845 0.809369 0.809524 O\n0.164390 0.971063 0.806673 O\n0.273058 0.582350 0.690709 O\n0.447837 0.751348 0.696488 O\n0.054860 0.751348 0.303512 O\n0.891641 0.582350 0.309291 O\n0.383885 0.081264 0.302621 O\n0.217355 0.916096 0.301259 O\n0.336093 0.537012 0.200919 O\n0.678555 0.898018 0.219463 O\n0.164390 0.357718 0.193327 O\n0.336093 0.135175 0.799081 O\n0.837459 0.639122 0.801663 O\n0.678555 0.459092 0.780537 O\n0.778643 0.081264 0.697379 O\n0.614837 0.916096 0.698741 O\n0.115172 0.415032 0.700140 O\n0.951623 0.255855 0.695768 O\n0.560087 0.255855 0.304232 O\n0.714892 0.415032 0.299860 O\n0.837459 0.035796 0.198337 O\n0.999845 0.190321 0.190476 O\n0.489348 0.703614 0.214266 O\n",
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{
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"structure_string": "Sr2 Zn2 P4 W2 O16\n1.0\n5.488516 0.000000 0.000000\n-2.093371 7.328208 0.000000\n-2.209447 -3.186737 8.706136\nSr Zn P W O\n2 2 4 2 16\ndirect\n0.207951 0.783319 0.040790 Sr\n0.792049 0.216681 0.959210 Sr\n0.932931 0.368524 0.617623 Zn\n0.067069 0.631476 0.382377 Zn\n0.483953 0.424630 0.222611 P\n0.516047 0.575370 0.777389 P\n0.840688 0.023137 0.290306 P\n0.159312 0.976863 0.709694 P\n0.587096 0.821574 0.544970 W\n0.412904 0.178426 0.455030 W\n0.738695 0.556087 0.896252 O\n0.749804 0.449251 0.184726 O\n0.611000 0.777597 0.755985 O\n0.963406 0.092630 0.692084 O\n0.250196 0.550749 0.815274 O\n0.973215 0.767401 0.607522 O\n0.026785 0.232599 0.392478 O\n0.292043 0.012487 0.878507 O\n0.389000 0.222403 0.244015 O\n0.707957 0.987513 0.121493 O\n0.261305 0.443913 0.103748 O\n0.569833 0.583114 0.381503 O\n0.430167 0.416886 0.618497 O\n0.601396 0.962050 0.362062 O\n0.036594 0.907370 0.307916 O\n0.398604 0.037950 0.637938 O\n",
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{
"id": "mp-1045432",
"created_at": "2022-09-04T14:41:48.415916Z",
"structure_string": "Li2 Cr4 S8\n1.0\n-3.468711 3.510467 4.926605\n3.468711 -3.510467 4.926605\n3.468711 3.510467 -4.926605\nLi Cr S\n2 4 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.743752 0.258360 0.485393 S\n0.743959 0.728865 0.484906 S\n0.272967 0.258360 0.014607 S\n0.256041 0.740947 0.984906 S\n0.727033 0.741640 0.985393 S\n0.256041 0.271135 0.515094 S\n0.743959 0.259053 0.015094 S\n0.256248 0.741640 0.514607 S\n",
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{
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{
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}