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{
"id": "mp-676724",
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"structure_string": "Ca2 Al12 Te20\n1.0\n9.869672 0.000000 0.000000\n0.132995 10.796777 0.000000\n0.545341 0.562704 11.605381\nCa Al Te\n2 12 20\ndirect\n0.554742 0.889990 0.829436 Ca\n0.820361 0.409583 0.056621 Ca\n0.437712 0.219809 0.042270 Al\n0.265702 0.963388 0.219764 Al\n0.799984 0.127260 0.567188 Al\n0.826138 0.388074 0.413741 Al\n0.704459 0.826997 0.502661 Al\n0.805779 0.037082 0.212720 Al\n0.945135 0.504150 0.665562 Al\n0.839378 0.722417 0.686385 Al\n0.911433 0.709993 0.152602 Al\n0.974445 0.749980 0.472084 Al\n0.013276 0.831175 0.895131 Al\n0.231489 0.550893 0.940236 Al\n0.069956 0.383910 0.840881 Te\n0.031052 0.936486 0.099885 Te\n0.095273 0.532055 0.145792 Te\n0.222607 0.740055 0.788354 Te\n0.188892 0.885308 0.433715 Te\n0.245007 0.238364 0.708772 Te\n0.311164 0.196678 0.241453 Te\n0.319311 0.069602 0.897079 Te\n0.470724 0.448153 0.953968 Te\n0.419916 0.841554 0.080244 Te\n0.580980 0.672957 0.650935 Te\n0.566493 0.032149 0.536058 Te\n0.666446 0.484988 0.270057 Te\n0.732125 0.350170 0.637339 Te\n0.701532 0.146452 0.030854 Te\n0.792811 0.688481 0.949172 Te\n0.703847 0.811179 0.273947 Te\n0.863187 0.964364 0.747025 Te\n0.058426 0.509768 0.454007 Te\n0.943318 0.161035 0.370260 Te\n",
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{
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"structure_string": "Sr1 La1 Fe2 O6\n1.0\n2.793637 1.612025 4.504126\n-2.792566 1.612181 4.503405\n0.000671 -3.225351 4.504176\nSr La Fe O\n1 1 2 6\ndirect\n0.249996 0.250000 0.250003 Sr\n0.750010 0.749997 0.749992 La\n0.500168 0.500160 0.500171 Fe\n0.999829 0.999841 0.999831 Fe\n0.706548 0.793450 0.249999 O\n0.793463 0.249999 0.706540 O\n0.250002 0.706546 0.793454 O\n0.189517 0.750001 0.310481 O\n0.750001 0.310466 0.189531 O\n0.310465 0.189540 0.749999 O\n",
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},
{
"id": "mp-780263",
"created_at": "2022-09-04T14:43:58.185010Z",
"structure_string": "Ba24 Ge12 O48\n1.0\n6.150393 0.000000 0.000000\n0.000000 10.557755 0.000000\n0.000000 0.000000 23.155151\nBa Ge O\n24 12 48\ndirect\n0.788467 0.299275 0.997871 Ba\n0.288467 0.700725 0.002129 Ba\n0.281462 0.078412 0.054444 Ba\n0.763185 0.579199 0.110417 Ba\n0.244494 0.803988 0.169050 Ba\n0.735332 0.200925 0.164746 Ba\n0.234557 0.424573 0.220127 Ba\n0.734557 0.924573 0.279873 Ba\n0.235332 0.700925 0.335254 Ba\n0.744494 0.303988 0.330950 Ba\n0.263185 0.079199 0.389583 Ba\n0.781462 0.578412 0.445556 Ba\n0.788467 0.200725 0.497871 Ba\n0.288467 0.799275 0.502129 Ba\n0.281462 0.421588 0.554444 Ba\n0.763185 0.920801 0.610417 Ba\n0.244494 0.696012 0.669050 Ba\n0.735332 0.299075 0.664746 Ba\n0.234557 0.075427 0.720127 Ba\n0.734557 0.575427 0.779873 Ba\n0.235332 0.799075 0.835254 Ba\n0.744494 0.196012 0.830950 Ba\n0.263185 0.420801 0.889583 Ba\n0.781462 0.921588 0.945556 Ba\n0.253857 0.417488 0.072719 Ge\n0.779570 0.916857 0.094374 Ge\n0.243775 0.086268 0.240969 Ge\n0.743775 0.586268 0.259031 Ge\n0.279570 0.416857 0.405626 Ge\n0.753857 0.917488 0.427281 Ge\n0.253857 0.082512 0.572719 Ge\n0.779570 0.583143 0.594374 Ge\n0.243775 0.413732 0.740969 Ge\n0.743775 0.913732 0.759031 Ge\n0.279570 0.083143 0.905626 Ge\n0.753857 0.582512 0.927281 Ge\n0.681488 0.556250 0.000476 O\n0.822215 0.065008 0.057289 O\n0.981245 0.806524 0.070726 O\n0.518498 0.860021 0.073471 O\n0.470173 0.307377 0.081874 O\n0.011100 0.359631 0.107534 O\n0.320007 0.563556 0.108730 O\n0.308289 0.066468 0.166703 O\n0.811477 0.939970 0.169730 O\n0.679174 0.438217 0.224195 O\n0.989398 0.639416 0.224685 O\n0.530434 0.697220 0.247175 O\n0.030434 0.197220 0.252825 O\n0.489398 0.139416 0.275315 O\n0.179174 0.938217 0.275805 O\n0.311477 0.439970 0.330270 O\n0.808289 0.566468 0.333297 O\n0.820007 0.063556 0.391270 O\n0.511100 0.859631 0.392466 O\n0.970173 0.807377 0.418126 O\n0.018498 0.360021 0.426529 O\n0.481245 0.306524 0.429274 O\n0.322215 0.565008 0.442711 O\n0.181488 0.056250 0.499524 O\n0.681488 0.943750 0.500476 O\n0.822215 0.434992 0.557289 O\n0.981245 0.693476 0.570726 O\n0.518498 0.639979 0.573471 O\n0.470173 0.192623 0.581874 O\n0.011100 0.140369 0.607534 O\n0.320007 0.936444 0.608730 O\n0.308289 0.433532 0.666703 O\n0.811477 0.560030 0.669730 O\n0.679174 0.061783 0.724195 O\n0.989398 0.860584 0.724685 O\n0.530434 0.802780 0.747175 O\n0.030434 0.302780 0.752825 O\n0.489398 0.360584 0.775315 O\n0.179174 0.561783 0.775805 O\n0.311477 0.060030 0.830270 O\n0.808289 0.933532 0.833297 O\n0.820007 0.436444 0.891270 O\n0.511100 0.640369 0.892466 O\n0.970173 0.692623 0.918126 O\n0.018498 0.139979 0.926529 O\n0.481245 0.193476 0.929274 O\n0.322215 0.934992 0.942711 O\n0.181488 0.443750 0.999524 O\n",
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"elements": [
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"formula_full": "Ba24 Ge12 O48",
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{
"id": "mp-1177218",
"created_at": "2022-09-04T14:43:58.198553Z",
"structure_string": "Li8 V6 P16 O58\n1.0\n9.715332 0.000000 0.000000\n-4.837307 -8.463221 0.000000\n-0.067157 0.014957 -14.234516\nLi V P O\n8 6 16 58\ndirect\n0.095071 0.332077 0.436576 Li\n0.676942 0.908112 0.948405 Li\n0.765060 0.090496 0.551706 Li\n0.234879 0.904094 0.440059 Li\n0.333045 0.100140 0.060480 Li\n0.767159 0.666680 0.059322 Li\n0.016366 0.048658 0.013839 Li\n0.962004 0.942058 0.489972 Li\n0.561544 0.999998 0.749885 V\n0.432647 0.999341 0.250032 V\n0.998576 0.434952 0.244138 V\n0.999451 0.563170 0.758470 V\n0.435415 0.435926 0.741154 V\n0.565118 0.563822 0.256599 V\n0.224928 0.308988 0.160548 P\n0.084030 0.314289 0.657898 P\n0.698355 0.782383 0.658730 P\n0.340148 0.666445 0.865975 P\n0.330860 0.664770 0.367636 P\n0.688459 0.909061 0.159473 P\n0.777049 0.088199 0.339605 P\n0.081386 0.779893 0.155055 P\n0.917058 0.215811 0.841305 P\n0.216393 0.905994 0.661299 P\n0.311523 0.093906 0.838696 P\n0.672309 0.333422 0.633697 P\n0.663041 0.335744 0.133146 P\n0.304414 0.222003 0.344685 P\n0.916560 0.692105 0.338982 P\n0.769403 0.683397 0.841649 P\n0.208977 0.215839 0.428045 O\n0.255708 0.343064 0.660722 O\n0.998870 0.192761 0.922255 O\n0.088119 0.346319 0.163751 O\n0.385382 0.462351 0.173546 O\n0.338666 0.524266 0.813599 O\n0.542359 0.621201 0.667309 O\n0.761334 0.760022 0.931148 O\n0.661310 0.737111 0.165462 O\n0.186582 0.510198 0.328865 O\n0.088739 0.471977 0.679258 O\n0.481316 0.669592 0.319777 O\n0.360868 0.672227 0.969285 O\n0.338684 0.666562 0.472246 O\n0.489407 0.818472 0.822778 O\n0.079601 0.622506 0.164388 O\n0.188446 0.667695 0.828934 O\n0.658931 0.919768 0.662695 O\n0.797162 0.998191 0.250345 O\n0.782992 0.009960 0.429291 O\n0.778941 0.983048 0.070897 O\n0.532429 0.909909 0.170413 O\n0.322176 0.811787 0.329149 O\n0.739857 0.079772 0.836990 O\n0.377922 0.909739 0.676722 O\n0.079366 0.735237 0.674912 O\n0.992351 0.197280 0.743630 O\n0.998586 0.237385 0.568338 O\n0.004447 0.790815 0.422432 O\n0.919191 0.258301 0.336148 O\n0.618185 0.087910 0.324459 O\n0.255812 0.920532 0.162239 O\n0.670501 0.181294 0.676833 O\n0.469457 0.090849 0.822649 O\n0.236651 0.024529 0.930143 O\n0.208209 0.975491 0.570017 O\n0.200462 0.999833 0.750087 O\n0.336543 0.081548 0.342389 O\n0.803434 0.322232 0.175749 O\n0.923068 0.377990 0.832736 O\n0.506539 0.188511 0.167723 O\n0.663319 0.359601 0.029409 O\n0.686065 0.327768 0.530351 O\n0.519615 0.331817 0.670476 O\n0.919569 0.537132 0.326784 O\n0.813365 0.475520 0.686127 O\n0.344275 0.264443 0.824802 O\n0.201148 0.201990 0.251970 O\n0.213067 0.210133 0.077303 O\n0.463276 0.380538 0.331037 O\n0.672214 0.486763 0.183437 O\n0.617131 0.525948 0.819970 O\n0.913107 0.655612 0.838941 O\n0.998012 0.801100 0.072414 O\n0.996058 0.798830 0.247603 O\n0.742237 0.658848 0.337537 O\n0.801863 0.803059 0.578111 O\n0.793375 0.801101 0.756364 O\n",
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{
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"structure_string": "Ti3 Fe1 Sn2 P6 O24\n1.0\n8.070823 -4.328083 0.000000\n8.070823 4.328083 0.000000\n5.749833 0.000000 7.128107\nTi Fe Sn P O\n3 1 2 6 24\ndirect\n0.855510 0.855510 0.855510 Ti\n0.647307 0.647307 0.647307 Ti\n0.343350 0.343350 0.343350 Ti\n0.153174 0.153174 0.153174 Fe\n0.017470 0.017470 0.017470 Sn\n0.485554 0.485554 0.485554 Sn\n0.471526 0.036910 0.742265 P\n0.036910 0.742265 0.471526 P\n0.742265 0.471526 0.036910 P\n0.250559 0.540147 0.953674 P\n0.953674 0.250559 0.540147 P\n0.540147 0.953674 0.250559 P\n0.695379 0.511654 0.878970 O\n0.511654 0.878970 0.695379 O\n0.068212 0.714306 0.941048 O\n0.878970 0.695379 0.511654 O\n0.248047 0.372782 0.960296 O\n0.416069 0.596991 0.781495 O\n0.941048 0.068212 0.714306 O\n0.781495 0.416069 0.596991 O\n0.633475 0.006506 0.778596 O\n0.596991 0.781495 0.416069 O\n0.286516 0.057278 0.913886 O\n0.006506 0.778596 0.633475 O\n0.960296 0.248047 0.372782 O\n0.714306 0.941048 0.068212 O\n0.444933 0.222407 0.566558 O\n0.372782 0.960296 0.248047 O\n0.222407 0.566558 0.444933 O\n0.057278 0.913886 0.286516 O\n0.566558 0.444933 0.222407 O\n0.778596 0.633475 0.006506 O\n0.132942 0.273434 0.500775 O\n0.913886 0.286516 0.057278 O\n0.500775 0.132942 0.273434 O\n0.273434 0.500775 0.132942 O\n",
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{
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"structure_string": "Sm4 Ho4 O12\n1.0\n5.765116 0.000000 0.000000\n0.000000 6.024105 0.000000\n0.000000 0.000000 8.446944\nSm Ho O\n4 4 12\ndirect\n0.985025 0.052192 0.250000 Sm\n0.485025 0.447808 0.750000 Sm\n0.514975 0.552192 0.250000 Sm\n0.014975 0.947808 0.750000 Sm\n0.500000 0.000000 0.000000 Ho\n0.500000 0.000000 0.500000 Ho\n0.000000 0.500000 0.000000 Ho\n0.000000 0.500000 0.500000 Ho\n0.639429 0.071549 0.750000 O\n0.183415 0.186654 0.572982 O\n0.183415 0.186654 0.927018 O\n0.683415 0.313346 0.427018 O\n0.683415 0.313346 0.072982 O\n0.139429 0.428451 0.250000 O\n0.860571 0.571549 0.750000 O\n0.316585 0.686654 0.572982 O\n0.316585 0.686654 0.927018 O\n0.816585 0.813346 0.072982 O\n0.816585 0.813346 0.427018 O\n0.360571 0.928451 0.250000 O\n",
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{
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