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{
"id": "mp-531358",
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"structure_string": "Sr17 Ta10 S42\n1.0\n12.334762 0.000000 0.000000\n-1.455682 12.256351 0.000000\n-1.363313 -1.608549 12.198725\nSr Ta S\n17 10 42\ndirect\n0.942548 0.702588 0.078120 Sr\n0.276384 0.911490 0.042249 Sr\n0.373804 0.605907 0.231572 Sr\n0.914969 0.048869 0.271912 Sr\n0.052456 0.417990 0.287132 Sr\n0.739647 0.604305 0.373388 Sr\n0.611119 0.238182 0.368343 Sr\n0.284236 0.055157 0.420178 Sr\n0.716285 0.953714 0.585085 Sr\n0.372335 0.737765 0.602542 Sr\n0.952573 0.584182 0.717200 Sr\n0.240316 0.373482 0.612118 Sr\n0.079108 0.944520 0.705430 Sr\n0.602690 0.372472 0.744486 Sr\n0.582032 0.711399 0.953689 Sr\n0.041287 0.274853 0.908504 Sr\n0.702286 0.081149 0.946054 Sr\n0.717519 0.384216 0.050002 Ta\n0.549890 0.884505 0.221696 Ta\n0.177067 0.171403 0.159101 Ta\n0.355021 0.353699 0.352922 Ta\n0.048146 0.722698 0.384026 Ta\n0.885493 0.221533 0.548269 Ta\n0.668110 0.667485 0.668253 Ta\n0.854749 0.856562 0.856998 Ta\n0.386591 0.047430 0.720909 Ta\n0.219312 0.549546 0.883807 Ta\n0.816467 0.894769 0.039297 S\n0.526342 0.940718 0.052321 S\n0.339456 0.675474 0.005246 S\n0.991845 0.211955 0.126093 S\n0.840348 0.506904 0.173194 S\n0.661820 0.236160 0.133488 S\n0.606334 0.714017 0.200593 S\n0.130073 0.990560 0.208038 S\n0.245750 0.374939 0.170530 S\n0.900393 0.800202 0.315514 S\n0.380317 0.860824 0.278491 S\n0.129833 0.656778 0.237173 S\n0.375254 0.170708 0.244748 S\n0.520717 0.444367 0.309608 S\n0.861956 0.280524 0.380634 S\n0.675602 0.005832 0.340328 S\n0.979683 0.577012 0.465074 S\n0.165538 0.245935 0.383640 S\n0.291967 0.517802 0.436363 S\n0.589928 0.727098 0.507349 S\n0.172068 0.842257 0.505994 S\n0.464479 0.978101 0.572411 S\n0.943409 0.051859 0.523579 S\n0.726968 0.505633 0.589941 S\n0.437195 0.290502 0.516177 S\n0.858050 0.783241 0.649423 S\n0.714643 0.200265 0.603809 S\n0.238864 0.130380 0.658635 S\n0.504966 0.587885 0.725939 S\n0.649283 0.856332 0.784015 S\n0.198341 0.605715 0.713079 S\n0.005736 0.341208 0.673659 S\n0.316329 0.898069 0.797639 S\n0.782186 0.649492 0.857004 S\n0.892907 0.038893 0.815192 S\n0.508786 0.168952 0.837472 S\n0.795635 0.316202 0.900126 S\n0.276605 0.383077 0.862357 S\n0.037577 0.815342 0.893284 S\n0.573302 0.464872 0.983285 S\n0.049383 0.524366 0.943194 S\n0.202992 0.122678 0.980782 S\n",
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"spacegroup": 1
},
{
"id": "mp-504876",
"created_at": "2022-09-04T14:41:29.056119Z",
"structure_string": "Hg19 As10 Br18\n1.0\n11.619441 0.000000 0.000000\n-3.664058 11.063105 0.000000\n-3.564084 -4.907498 11.201894\nHg As Br\n19 10 18\ndirect\n0.000000 0.500000 0.000000 Hg\n0.308007 0.692013 0.897701 Hg\n0.691993 0.307987 0.102299 Hg\n0.307222 0.005186 0.781566 Hg\n0.692778 0.994814 0.218434 Hg\n0.631163 0.892037 0.822910 Hg\n0.368837 0.107963 0.177090 Hg\n0.324890 0.386920 0.006201 Hg\n0.675110 0.613080 0.993799 Hg\n0.928366 0.083853 0.721623 Hg\n0.071634 0.916147 0.278377 Hg\n0.876106 0.375691 0.595167 Hg\n0.123894 0.624309 0.404833 Hg\n0.202268 0.294684 0.589357 Hg\n0.797732 0.705316 0.410643 Hg\n0.071822 0.242022 0.185330 Hg\n0.928178 0.757978 0.814670 Hg\n0.484961 0.203846 0.576148 Hg\n0.515039 0.796154 0.423852 Hg\n0.448256 0.915390 0.897023 As\n0.551744 0.084610 0.102977 As\n0.166950 0.471992 0.902457 As\n0.833050 0.528008 0.097543 As\n0.216494 0.142174 0.286117 As\n0.783506 0.857826 0.713883 As\n0.043049 0.300696 0.698321 As\n0.956951 0.699304 0.301679 As\n0.364173 0.323483 0.486041 As\n0.635827 0.676517 0.513959 As\n0.499824 0.409960 0.203195 Br\n0.500176 0.590040 0.796805 Br\n0.170087 0.098391 0.931014 Br\n0.829913 0.901609 0.068986 Br\n0.884370 0.200893 0.980717 Br\n0.115630 0.799107 0.019283 Br\n0.781882 0.487756 0.775344 Br\n0.218118 0.512244 0.224656 Br\n0.462814 0.287040 0.865269 Br\n0.537186 0.712960 0.134731 Br\n0.964687 0.344162 0.344363 Br\n0.035313 0.655838 0.655637 Br\n0.857289 0.013010 0.415117 Br\n0.142711 0.986990 0.584883 Br\n0.617854 0.093742 0.670989 Br\n0.382146 0.906258 0.329011 Br\n0.663766 0.320150 0.419439 Br\n0.336234 0.679850 0.580561 Br\n",
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"elements": [
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"Br"
],
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"density": 6.917550966571157,
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"formula_full": "Hg19 As10 Br18",
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{
"id": "mp-652044",
"created_at": "2022-09-04T14:42:28.566642Z",
"structure_string": "Ce20 Se38\n1.0\n9.394273 0.000000 0.000000\n0.000000 9.394273 0.000000\n0.000000 0.000000 16.667876\nCe Se\n20 38\ndirect\n0.000000 0.500000 0.131078 Ce\n0.198437 0.897083 0.142338 Ce\n0.000000 0.500000 0.631078 Ce\n0.500000 0.000000 0.868922 Ce\n0.102917 0.198437 0.857662 Ce\n0.207090 0.900952 0.630054 Ce\n0.599048 0.707090 0.130054 Ce\n0.801563 0.102917 0.142338 Ce\n0.099048 0.207090 0.369946 Ce\n0.301563 0.602917 0.357662 Ce\n0.900952 0.792910 0.369946 Ce\n0.792910 0.099048 0.630054 Ce\n0.698437 0.397083 0.357662 Ce\n0.602917 0.698437 0.642338 Ce\n0.400952 0.292910 0.130054 Ce\n0.707090 0.400952 0.869946 Ce\n0.500000 0.000000 0.368922 Ce\n0.292910 0.599048 0.869946 Ce\n0.897083 0.801563 0.857662 Ce\n0.397083 0.301563 0.642338 Ce\n0.691411 0.880781 0.500096 Se\n0.500000 0.000000 0.684161 Se\n0.775657 0.578622 0.499789 Se\n0.224343 0.421378 0.499789 Se\n0.808589 0.619219 0.999904 Se\n0.119219 0.691411 0.499904 Se\n0.578622 0.224343 0.500211 Se\n0.000000 0.500000 0.315839 Se\n0.399938 0.303524 0.315146 Se\n0.000000 0.500000 0.815839 Se\n0.421378 0.775657 0.500211 Se\n0.619219 0.191411 0.000096 Se\n0.803524 0.100062 0.815146 Se\n0.724343 0.921378 0.000211 Se\n0.902100 0.798792 0.677371 Se\n0.701208 0.402100 0.177371 Se\n0.078622 0.724343 0.999789 Se\n0.298792 0.597900 0.177371 Se\n0.097900 0.201208 0.677371 Se\n0.880781 0.308589 0.499904 Se\n0.275657 0.078622 0.000211 Se\n0.798792 0.097900 0.322629 Se\n0.100062 0.196476 0.184854 Se\n0.597900 0.701208 0.822629 Se\n0.191411 0.380781 0.999904 Se\n0.000000 0.000000 0.500000 Se\n0.308589 0.119219 0.500096 Se\n0.201208 0.902100 0.322629 Se\n0.921378 0.275657 0.999789 Se\n0.696476 0.399938 0.684854 Se\n0.380781 0.808589 0.000096 Se\n0.402100 0.298792 0.822629 Se\n0.196476 0.899938 0.815146 Se\n0.303524 0.600062 0.684854 Se\n0.600062 0.696476 0.315146 Se\n0.899938 0.803524 0.184854 Se\n0.500000 0.000000 0.184161 Se\n0.500000 0.500000 0.000000 Se\n",
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{
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"created_at": "2022-09-04T14:48:24.138034Z",
"structure_string": "Pr20 Se38\n1.0\n9.399526 0.000000 0.000000\n0.000000 9.399526 0.000000\n0.000000 0.000000 17.177861\nPr Se\n20 38\ndirect\n0.000000 0.500000 0.133423 Pr\n0.000000 0.500000 0.633423 Pr\n0.500000 0.000000 0.366577 Pr\n0.500000 0.000000 0.866577 Pr\n0.398003 0.303500 0.644358 Pr\n0.196500 0.898003 0.144358 Pr\n0.803500 0.101997 0.144358 Pr\n0.601997 0.696500 0.644358 Pr\n0.101997 0.196500 0.855642 Pr\n0.303500 0.601997 0.355642 Pr\n0.696500 0.398003 0.355642 Pr\n0.898003 0.803500 0.855642 Pr\n0.206644 0.902882 0.630210 Pr\n0.597118 0.706644 0.130210 Pr\n0.402882 0.293356 0.130210 Pr\n0.793356 0.097118 0.630210 Pr\n0.293356 0.597118 0.869790 Pr\n0.902882 0.793356 0.369790 Pr\n0.097118 0.206644 0.369790 Pr\n0.706644 0.402882 0.869790 Pr\n0.000000 0.500000 0.814419 Se\n0.000000 0.500000 0.314419 Se\n0.500000 0.000000 0.685581 Se\n0.500000 0.000000 0.185581 Se\n0.399289 0.302092 0.313243 Se\n0.197908 0.899289 0.813243 Se\n0.802092 0.100711 0.813243 Se\n0.600711 0.697908 0.313243 Se\n0.100711 0.197908 0.186757 Se\n0.302092 0.600711 0.686757 Se\n0.697908 0.399289 0.686757 Se\n0.899289 0.802092 0.186757 Se\n0.798950 0.097679 0.321314 Se\n0.402321 0.298950 0.821314 Se\n0.597679 0.701050 0.821314 Se\n0.201050 0.902321 0.321314 Se\n0.701050 0.402321 0.178686 Se\n0.097679 0.201050 0.678686 Se\n0.902321 0.798950 0.678686 Se\n0.298950 0.597679 0.178686 Se\n0.816165 0.632661 0.999183 Se\n0.867339 0.316165 0.499183 Se\n0.132661 0.683835 0.499183 Se\n0.183835 0.367339 0.999183 Se\n0.683835 0.867339 0.500817 Se\n0.632661 0.183835 0.000817 Se\n0.367339 0.816165 0.000817 Se\n0.316165 0.132661 0.500817 Se\n0.076086 0.720263 0.000206 Se\n0.779737 0.576086 0.500206 Se\n0.220263 0.423914 0.500206 Se\n0.923914 0.279737 0.000206 Se\n0.423914 0.779737 0.499794 Se\n0.720263 0.923914 0.999794 Se\n0.279737 0.076086 0.999794 Se\n0.576086 0.220263 0.499794 Se\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n",
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{
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"structure_string": "Nd20 Se38\n1.0\n9.338134 0.000000 0.000000\n0.000000 9.338134 0.000000\n0.000000 0.000000 17.070189\nNd Se\n20 38\ndirect\n0.000000 0.500000 0.866654 Nd\n0.000000 0.500000 0.366654 Nd\n0.500000 0.000000 0.633346 Nd\n0.500000 0.000000 0.133346 Nd\n0.303260 0.397916 0.643896 Nd\n0.102084 0.803260 0.143896 Nd\n0.897916 0.196740 0.143896 Nd\n0.696740 0.602084 0.643896 Nd\n0.196740 0.102084 0.856104 Nd\n0.397916 0.696740 0.356104 Nd\n0.602084 0.303260 0.356104 Nd\n0.803260 0.897916 0.856104 Nd\n0.206457 0.097166 0.369587 Nd\n0.402834 0.706457 0.869587 Nd\n0.597166 0.293543 0.869587 Nd\n0.793543 0.902834 0.369587 Nd\n0.293543 0.402834 0.130413 Nd\n0.097166 0.793543 0.630413 Nd\n0.902834 0.206457 0.630413 Nd\n0.706457 0.597166 0.130413 Nd\n0.500000 0.000000 0.814347 Se\n0.500000 0.000000 0.314347 Se\n0.000000 0.500000 0.685653 Se\n0.000000 0.500000 0.185653 Se\n0.600559 0.302292 0.686822 Se\n0.197708 0.100559 0.186822 Se\n0.802292 0.899441 0.186822 Se\n0.399441 0.697708 0.686822 Se\n0.899441 0.197708 0.813178 Se\n0.302292 0.399441 0.313178 Se\n0.697708 0.600559 0.313178 Se\n0.100559 0.802292 0.813178 Se\n0.201110 0.097709 0.679153 Se\n0.402291 0.701110 0.179153 Se\n0.597709 0.298890 0.179153 Se\n0.798890 0.902291 0.679153 Se\n0.298890 0.402291 0.820847 Se\n0.097709 0.798890 0.320847 Se\n0.902291 0.201110 0.320847 Se\n0.701110 0.597709 0.820847 Se\n0.631451 0.815216 0.999331 Se\n0.684784 0.131451 0.499331 Se\n0.315216 0.868549 0.499331 Se\n0.368549 0.184784 0.999331 Se\n0.868549 0.684784 0.500669 Se\n0.815216 0.368549 0.000669 Se\n0.184784 0.631451 0.000669 Se\n0.131451 0.315216 0.500669 Se\n0.720278 0.077001 0.000191 Se\n0.422999 0.220278 0.500191 Se\n0.577001 0.779722 0.500191 Se\n0.279722 0.922999 0.000191 Se\n0.779722 0.422999 0.499809 Se\n0.077001 0.279722 0.999809 Se\n0.922999 0.720278 0.999809 Se\n0.220278 0.577001 0.499809 Se\n0.500000 0.500000 0.000000 Se\n0.000000 0.000000 0.500000 Se\n",
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{
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}