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{
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{
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{
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{
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"structure_string": "Li32 Ti3 Cr13 O48\n1.0\n5.047418 0.000000 0.000000\n-0.029977 8.728915 0.000000\n-1.627157 -2.880329 19.233848\nLi Ti Cr O\n32 3 13 48\ndirect\n0.993175 0.169545 0.249963 Li\n0.874090 0.375761 0.374845 Li\n0.753446 0.248801 0.999937 Li\n0.746190 0.920003 0.000063 Li\n0.986214 0.167803 0.750235 Li\n0.758118 0.580617 0.500091 Li\n0.874282 0.373905 0.874962 Li\n0.742979 0.252772 0.500121 Li\n0.746812 0.919643 0.499452 Li\n0.625072 0.125247 0.124948 Li\n0.755602 0.579318 0.000124 Li\n0.508014 0.331703 0.249477 Li\n0.625498 0.126016 0.625021 Li\n0.501965 0.999369 0.249401 Li\n0.491155 0.667638 0.249374 Li\n0.513510 0.332126 0.749683 Li\n0.373541 0.874999 0.375511 Li\n0.498679 0.001778 0.749207 Li\n0.246616 0.751396 0.000373 Li\n0.490668 0.666897 0.748871 Li\n0.243761 0.419881 0.000903 Li\n0.372676 0.875305 0.875738 Li\n0.255074 0.078228 0.499556 Li\n0.249547 0.749129 0.499824 Li\n0.125156 0.624932 0.125021 Li\n0.245409 0.420985 0.500707 Li\n0.008718 0.830121 0.250169 Li\n0.256091 0.079982 0.999729 Li\n0.127457 0.624837 0.624382 Li\n0.995503 0.501308 0.250068 Li\n0.009213 0.833078 0.751071 Li\n0.001421 0.498415 0.750725 Li\n0.374504 0.537621 0.373225 Ti\n0.370978 0.211266 0.873230 Ti\n0.128745 0.288807 0.626775 Ti\n0.870379 0.711604 0.374957 Cr\n0.878942 0.047448 0.376064 Cr\n0.878883 0.703435 0.876184 Cr\n0.870113 0.038258 0.875200 Cr\n0.620501 0.789451 0.124589 Cr\n0.629670 0.460079 0.125011 Cr\n0.620929 0.796693 0.623858 Cr\n0.629892 0.462004 0.624999 Cr\n0.376378 0.202741 0.374827 Cr\n0.378368 0.547454 0.875604 Cr\n0.130349 0.960232 0.125543 Cr\n0.120181 0.289600 0.124924 Cr\n0.121522 0.952777 0.624637 Cr\n0.964774 0.111347 0.068961 O\n0.925355 0.785893 0.069531 O\n0.918164 0.429045 0.067471 O\n0.964674 0.103238 0.568790 O\n0.824650 0.963911 0.180893 O\n0.831942 0.320918 0.182409 O\n0.935671 0.787234 0.568566 O\n0.920996 0.428839 0.567505 O\n0.785317 0.638588 0.181058 O\n0.717659 0.855237 0.319915 O\n0.814598 0.959587 0.681524 O\n0.825056 0.321667 0.683686 O\n0.675304 0.532572 0.316995 O\n0.684501 0.172030 0.317324 O\n0.783235 0.642280 0.679911 O\n0.716799 0.857847 0.820229 O\n0.463123 0.611309 0.068549 O\n0.579717 0.716972 0.431465 O\n0.564966 0.075420 0.432386 O\n0.685109 0.540477 0.818609 O\n0.674823 0.178541 0.816453 O\n0.417936 0.928656 0.067745 O\n0.426566 0.285681 0.069466 O\n0.534986 0.390867 0.431096 O\n0.462849 0.610970 0.568420 O\n0.564692 0.712879 0.931702 O\n0.579203 0.071385 0.932689 O\n0.332395 0.821008 0.182626 O\n0.323356 0.464481 0.180455 O\n0.433471 0.925156 0.567343 O\n0.431313 0.286937 0.568777 O\n0.534694 0.397019 0.931447 O\n0.286689 0.138431 0.181420 O\n0.213083 0.352240 0.318153 O\n0.314219 0.825240 0.682242 O\n0.325617 0.467508 0.681382 O\n0.175088 0.679168 0.317531 O\n0.186766 0.037346 0.318618 O\n0.286622 0.140337 0.681755 O\n0.213286 0.359903 0.818386 O\n0.069262 0.574625 0.432008 O\n0.065257 0.212895 0.431602 O\n0.185857 0.674811 0.817930 O\n0.174347 0.032725 0.818743 O\n0.038192 0.898511 0.431200 O\n0.065990 0.574961 0.932855 O\n0.068462 0.213181 0.931397 O\n0.037380 0.889118 0.931599 O\n",
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"formula_full": "Li32 Ti3 Cr13 O48",
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{
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"structure_string": "Ga8 Sb16 Te16 Cl32\n1.0\n9.806708 0.000000 0.000000\n0.191979 13.485524 0.000000\n0.675828 4.416470 17.881771\nGa Sb Te Cl\n8 16 16 32\ndirect\n0.521219 0.999651 0.337532 Ga\n0.478781 0.000349 0.662468 Ga\n0.996699 0.747318 0.812956 Ga\n0.003301 0.252682 0.187044 Ga\n0.983186 0.244351 0.857572 Ga\n0.016814 0.755649 0.142428 Ga\n0.467081 0.476969 0.670221 Ga\n0.532919 0.523031 0.329779 Ga\n0.383266 0.995779 0.908975 Sb\n0.616734 0.004221 0.091025 Sb\n0.703153 0.752587 0.999165 Sb\n0.296847 0.247413 0.000835 Sb\n0.316669 0.769196 0.946227 Sb\n0.683331 0.230804 0.053773 Sb\n0.427391 0.489129 0.104879 Sb\n0.572609 0.510871 0.895121 Sb\n0.814461 0.042827 0.465836 Sb\n0.185539 0.957173 0.534164 Sb\n0.961246 0.780558 0.381320 Sb\n0.038754 0.219442 0.618680 Sb\n0.116393 0.730232 0.582278 Sb\n0.883607 0.269768 0.417722 Sb\n0.194298 0.486683 0.467640 Sb\n0.805702 0.513317 0.532360 Sb\n0.666062 0.984244 0.941025 Te\n0.333938 0.015756 0.058975 Te\n0.451148 0.735495 0.085696 Te\n0.548852 0.264505 0.914304 Te\n0.566211 0.748967 0.865867 Te\n0.433789 0.251033 0.134133 Te\n0.306609 0.505190 0.962733 Te\n0.693391 0.494810 0.037267 Te\n0.059399 0.994766 0.391937 Te\n0.940601 0.005234 0.608063 Te\n0.843805 0.756463 0.529450 Te\n0.156195 0.243537 0.470550 Te\n0.223206 0.720616 0.438120 Te\n0.776794 0.279384 0.561880 Te\n0.945111 0.532187 0.389401 Te\n0.054889 0.467813 0.610599 Te\n0.731762 0.979158 0.294642 Cl\n0.268238 0.020842 0.705358 Cl\n0.494652 0.893722 0.448317 Cl\n0.505348 0.106278 0.551683 Cl\n0.493184 0.156124 0.349191 Cl\n0.506816 0.843876 0.650809 Cl\n0.375939 0.966157 0.259311 Cl\n0.624061 0.033843 0.740689 Cl\n0.867084 0.711520 0.727763 Cl\n0.132916 0.288480 0.272237 Cl\n0.959770 0.633807 0.919916 Cl\n0.040230 0.366193 0.080084 Cl\n0.212533 0.745236 0.777094 Cl\n0.787467 0.254764 0.222906 Cl\n0.944694 0.896930 0.832884 Cl\n0.055306 0.103070 0.167116 Cl\n0.854263 0.203525 0.774125 Cl\n0.145737 0.796475 0.225875 Cl\n0.958383 0.132092 0.966699 Cl\n0.041617 0.867908 0.033301 Cl\n0.199403 0.239729 0.822572 Cl\n0.800597 0.760271 0.177428 Cl\n0.920957 0.393080 0.875595 Cl\n0.079043 0.606920 0.124405 Cl\n0.339432 0.498883 0.765177 Cl\n0.660568 0.501117 0.234823 Cl\n0.402054 0.344750 0.630526 Cl\n0.597946 0.655250 0.369474 Cl\n0.455498 0.612109 0.575269 Cl\n0.544502 0.387891 0.424731 Cl\n0.682050 0.458387 0.703649 Cl\n0.317950 0.541613 0.296351 Cl\n",
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{
"id": "mp-1182231",
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"structure_string": "Bi2 Te2 S1\n1.0\n15.962048 -5.026019 16.395573\n-0.061664 1.082601 4.310916\n-8.985237 0.588594 -7.727097\nBi Te S\n2 2 1\ndirect\n0.864114 0.439891 0.003546 Bi\n0.135886 0.560109 0.996455 Bi\n0.677216 0.965480 0.002296 Te\n0.322784 0.034521 0.997704 Te\n0.000000 0.999999 0.000000 S\n",
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{
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"structure_string": "Sm2 Fe2 Se2 O3\n1.0\n-2.027391 2.027391 9.394274\n2.027391 -2.027391 9.394274\n2.027392 2.027391 -9.394274\nSm Fe Se O\n2 2 2 3\ndirect\n0.310312 0.310312 0.000000 Sm\n0.689688 0.689688 0.000000 Sm\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.899419 0.899419 0.000000 Se\n0.100581 0.100581 0.000000 Se\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Sm2 Fe2 Se2 O3",
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]
}