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{
"id": "mp-735129",
"created_at": "2022-09-04T14:42:09.333546Z",
"structure_string": "Yb8 P24 O136\n1.0\n10.135589 0.000000 0.000000\n0.000000 15.548147 0.000000\n0.000000 0.000000 19.808838\nYb P O\n8 24 136\ndirect\n0.092598 0.880683 0.509429 Yb\n0.592598 0.619317 0.490571 Yb\n0.907402 0.380683 0.990571 Yb\n0.407402 0.119317 0.009429 Yb\n0.154769 0.559494 0.211942 Yb\n0.654769 0.940506 0.788058 Yb\n0.845231 0.059494 0.288058 Yb\n0.345231 0.440506 0.711942 Yb\n0.859667 0.850135 0.640428 P\n0.359667 0.649865 0.359572 P\n0.140333 0.350135 0.859572 P\n0.640333 0.149865 0.140428 P\n0.876994 0.707313 0.549417 P\n0.376994 0.792687 0.450583 P\n0.123006 0.207313 0.950583 P\n0.623006 0.292687 0.049417 P\n0.806839 0.540568 0.612060 P\n0.306839 0.959432 0.387940 P\n0.193161 0.040568 0.887940 P\n0.693161 0.459432 0.112060 P\n0.566176 0.616917 0.665811 P\n0.066176 0.883083 0.334189 P\n0.433824 0.116917 0.834189 P\n0.933824 0.383083 0.165811 P\n0.624528 0.719830 0.791420 P\n0.124528 0.780170 0.208580 P\n0.375472 0.219830 0.708580 P\n0.875472 0.280170 0.291420 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O\n0.712205 0.759056 0.955513 O\n0.212205 0.740944 0.044487 O\n0.287795 0.259056 0.544487 O\n0.787795 0.240944 0.455513 O\n0.275305 0.817713 0.758799 O\n0.775305 0.682287 0.241201 O\n0.724695 0.317713 0.741201 O\n0.224695 0.182287 0.258799 O\n",
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"elements": [
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"formula_reduced": "YbP3O17",
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"updated_at": "2021-11-28T01:35:38.365000Z",
"spacegroup": 19
},
{
"id": "mp-1099708",
"created_at": "2022-09-04T14:43:00.565224Z",
"structure_string": "Sr12 Ca20 Fe16 Co16 O80\n1.0\n0.045003 0.000504 10.750942\n11.257771 -0.005227 0.046983\n-5.658468 15.484015 -5.398367\nSr Ca Fe Co O\n12 20 16 16 80\ndirect\n0.308723 0.563891 0.610723 Sr\n0.807251 0.061022 0.609203 Sr\n0.806405 0.565437 0.611300 Sr\n0.195522 0.432831 0.385295 Sr\n0.200601 0.438571 0.895887 Sr\n0.694714 0.930685 0.385138 Sr\n0.059907 0.293993 0.610246 Sr\n0.056194 0.798667 0.610920 Sr\n0.557139 0.297019 0.611435 Sr\n0.449511 0.204995 0.892864 Sr\n0.944265 0.200869 0.385616 Sr\n0.950810 0.206882 0.893914 Sr\n0.304289 0.066140 0.105844 Ca\n0.303277 0.069714 0.606804 Ca\n0.302811 0.569265 0.106766 Ca\n0.800989 0.066127 0.104147 Ca\n0.803318 0.568377 0.105870 Ca\n0.195302 0.928962 0.389683 Ca\n0.200511 0.935078 0.899421 Ca\n0.691027 0.431706 0.388132 Ca\n0.698995 0.435911 0.897079 Ca\n0.698445 0.935041 0.896867 Ca\n0.054809 0.287100 0.105706 Ca\n0.051817 0.788685 0.104740 Ca\n0.551324 0.286396 0.105944 Ca\n0.552609 0.788112 0.104133 Ca\n0.556056 0.789341 0.608677 Ca\n0.444169 0.210332 0.389131 Ca\n0.443845 0.707088 0.390192 Ca\n0.449682 0.715551 0.898658 Ca\n0.942599 0.711720 0.389296 Ca\n0.948651 0.715005 0.899091 Ca\n0.105897 0.084293 0.244918 Fe\n0.112996 0.087642 0.754450 Fe\n0.102677 0.592908 0.246556 Fe\n0.109493 0.598251 0.755368 Fe\n0.600155 0.090936 0.246228 Fe\n0.603459 0.088793 0.749755 Fe\n0.602508 0.587117 0.246255 Fe\n0.610423 0.600081 0.757225 Fe\n0.354578 0.408959 0.244981 Fe\n0.363734 0.413583 0.755412 Fe\n0.351801 0.906792 0.248177 Fe\n0.362203 0.907975 0.752246 Fe\n0.851021 0.411907 0.247076 Fe\n0.857626 0.415992 0.756095 Fe\n0.854625 0.904520 0.242496 Fe\n0.854675 0.905663 0.753293 Fe\n0.008776 0.000273 0.003538 Co\n0.005904 0.997710 0.497278 Co\n0.007093 0.502686 0.003562 Co\n0.000017 0.499075 0.493913 Co\n0.508577 0.001003 0.003372 Co\n0.502490 0.998268 0.497597 Co\n0.508652 0.502988 0.003639 Co\n0.502063 0.497379 0.493397 Co\n0.259666 0.251849 0.005262 Co\n0.252921 0.245437 0.492882 Co\n0.258332 0.752496 0.003561 Co\n0.255415 0.750439 0.499050 Co\n0.759223 0.253184 0.005400 Co\n0.751914 0.249010 0.496704 Co\n0.757262 0.750684 0.001098 Co\n0.750576 0.744765 0.493795 Co\n0.126027 0.114589 0.485840 O\n0.127547 0.117590 0.992266 O\n0.115764 0.617554 0.488667 O\n0.124587 0.625429 0.993039 O\n0.614718 0.113831 0.486850 O\n0.628353 0.119314 0.991607 O\n0.616895 0.614654 0.478713 O\n0.624300 0.620006 0.988150 O\n0.140569 0.382099 0.021057 O\n0.137807 0.368899 0.505805 O\n0.137971 0.878486 0.015286 O\n0.131072 0.883596 0.504626 O\n0.643961 0.377452 0.016098 O\n0.626351 0.383111 0.503611 O\n0.638362 0.879609 0.015358 O\n0.633822 0.865023 0.506383 O\n0.366520 0.121359 0.485287 O\n0.374489 0.116021 0.990784 O\n0.380852 0.616263 0.489365 O\n0.377974 0.624394 0.992639 O\n0.879871 0.112251 0.491004 O\n0.871015 0.123070 0.992641 O\n0.864869 0.622549 0.484594 O\n0.871510 0.618457 0.985892 O\n0.391886 0.387371 0.019403 O\n0.384309 0.378520 0.506853 O\n0.388302 0.885431 0.015495 O\n0.388290 0.888002 0.509352 O\n0.886304 0.387377 0.016458 O\n0.884767 0.387407 0.503851 O\n0.888514 0.886788 0.015730 O\n0.883992 0.876608 0.505580 O\n0.095145 0.103581 0.140882 O\n0.093530 0.092069 0.643255 O\n0.085598 0.608384 0.140594 O\n0.078671 0.596897 0.641903 O\n0.586918 0.105633 0.140577 O\n0.584373 0.093623 0.639205 O\n0.592321 0.605879 0.141662 O\n0.584821 0.604983 0.645424 O\n0.440266 0.394400 0.353981 O\n0.450742 0.404183 0.864093 O\n0.439112 0.893204 0.357269 O\n0.456075 0.899192 0.860983 O\n0.940635 0.403550 0.356933 O\n0.946494 0.402456 0.862780 O\n0.943543 0.896383 0.352871 O\n0.947839 0.898037 0.862030 O\n0.343633 0.284410 0.140810 O\n0.337495 0.291101 0.645408 O\n0.339646 0.787909 0.141130 O\n0.337796 0.794018 0.640242 O\n0.841541 0.287634 0.141839 O\n0.830220 0.302409 0.642114 O\n0.838335 0.782421 0.136212 O\n0.828146 0.793618 0.640803 O\n0.195289 0.203058 0.354860 O\n0.193817 0.208717 0.862813 O\n0.197668 0.706905 0.357476 O\n0.204302 0.715503 0.863849 O\n0.688288 0.207702 0.357381 O\n0.689779 0.212455 0.858057 O\n0.698558 0.703408 0.354667 O\n0.703423 0.719805 0.864507 O\n0.421071 0.066415 0.249267 O\n0.420702 0.064623 0.744158 O\n0.422237 0.570052 0.248268 O\n0.432888 0.575067 0.759771 O\n0.923026 0.060242 0.239117 O\n0.932295 0.058946 0.751086 O\n0.922019 0.570918 0.248460 O\n0.932810 0.575214 0.761209 O\n0.172092 0.431406 0.239886 O\n0.183292 0.440691 0.752679 O\n0.170619 0.924437 0.247607 O\n0.186012 0.932431 0.760632 O\n0.668696 0.426293 0.246397 O\n0.679323 0.441581 0.759828 O\n0.673875 0.931824 0.240460 O\n0.673135 0.930057 0.752986 O\n",
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"formula_full": "Sr12 Ca20 Fe16 Co16 O80",
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"energy": -1029.87857619,
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"updated_at": "2021-11-28T01:36:08.261000Z",
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},
{
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{
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C\n0.289075 0.841810 0.583536 C\n0.710924 0.158190 0.416464 C\n0.789076 0.158190 0.916464 C\n0.210924 0.841810 0.083536 C\n0.827108 0.887142 0.754559 C\n0.172892 0.112858 0.245441 C\n0.327108 0.112858 0.745441 C\n0.672892 0.887142 0.254559 C\n0.770796 0.485536 0.799629 Br\n0.229204 0.514464 0.200371 Br\n0.270796 0.514464 0.700371 Br\n0.729204 0.485536 0.299629 Br\n0.824367 0.936337 0.598219 N\n0.175633 0.063663 0.401781 N\n0.324367 0.063663 0.901781 N\n0.675633 0.936337 0.098219 N\n0.243199 0.823315 0.637135 N\n0.756801 0.176685 0.362865 N\n0.743199 0.176685 0.862865 N\n0.256801 0.823315 0.137135 N\n0.828670 0.760766 0.899289 N\n0.171330 0.239234 0.100711 N\n0.328670 0.239234 0.600711 N\n0.671330 0.760766 0.399289 N\n0.359847 0.835585 0.866464 N\n0.640154 0.164415 0.133536 N\n0.859846 0.164415 0.633536 N\n0.140153 0.835585 0.366464 N\n0.690492 0.624654 0.959962 N\n0.309508 0.375346 0.040038 N\n0.190492 0.375346 0.540038 N\n0.809508 0.624654 0.459962 N\n0.666225 0.817170 0.751067 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{
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{
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}