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{
"id": "mp-756282",
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"structure_string": "V4 Bi4 O12\n1.0\n5.497572 -0.000142 -0.007602\n-0.000149 5.779464 -0.000046\n-0.026524 -0.000062 7.881134\nV Bi O\n4 4 12\ndirect\n0.999997 0.500000 0.499998 V\n0.000001 0.499997 0.999999 V\n0.499994 0.000002 0.500001 V\n0.500002 0.999998 0.000000 V\n0.011907 0.955723 0.748466 Bi\n0.488093 0.455715 0.751534 Bi\n0.511908 0.544285 0.248466 Bi\n0.988094 0.044277 0.251535 Bi\n0.100203 0.468757 0.248082 O\n0.192133 0.199882 0.950845 O\n0.187603 0.199329 0.548227 O\n0.312396 0.699332 0.951772 O\n0.307860 0.699880 0.549151 O\n0.399800 0.968757 0.251917 O\n0.600201 0.031243 0.748083 O\n0.692140 0.300120 0.450849 O\n0.687605 0.300668 0.048228 O\n0.812398 0.800671 0.451773 O\n0.807868 0.800118 0.049155 O\n0.899798 0.531244 0.751918 O\n",
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{
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"structure_string": "Nd24 Mn4 S40\n1.0\n7.387439 0.000000 0.000000\n-2.346040 7.047005 0.000000\n-2.610931 -3.388637 30.061027\nNd Mn S\n24 4 40\ndirect\n0.825057 0.197178 0.028453 Nd\n0.994965 0.633959 0.127216 Nd\n0.434491 0.797319 0.224477 Nd\n0.468024 0.608958 0.075166 Nd\n0.602729 0.236118 0.326524 Nd\n0.024085 0.381792 0.431405 Nd\n0.062352 0.196013 0.270850 Nd\n0.405956 0.265608 0.172661 Nd\n0.186205 0.826206 0.524464 Nd\n0.633740 0.007113 0.624029 Nd\n0.012527 0.878998 0.373459 Nd\n0.677252 0.809948 0.472995 Nd\n0.420890 0.669648 0.348744 Nd\n0.802829 0.429749 0.724437 Nd\n0.224666 0.598530 0.826518 Nd\n0.597206 0.458001 0.569909 Nd\n0.268667 0.396198 0.669803 Nd\n0.402805 0.020068 0.924688 Nd\n0.189197 0.076292 0.779445 Nd\n0.628874 0.875799 0.754078 Nd\n0.079939 0.822647 0.648539 Nd\n0.804984 0.685199 0.973584 Nd\n0.213047 0.455324 0.949522 Nd\n0.682906 0.428072 0.853094 Nd\n0.826749 0.076863 0.148067 Mn\n0.277552 0.032310 0.050887 Mn\n0.877296 0.618522 0.247313 Mn\n0.472090 0.239343 0.457516 Mn\n0.761161 0.882916 0.297440 S\n0.664467 0.642435 0.177189 S\n0.272059 0.914159 0.299807 S\n0.085695 0.974626 0.195016 S\n0.842116 0.869204 0.078706 S\n0.372370 0.493288 0.494826 S\n0.075849 0.578282 0.029857 S\n0.372157 0.888471 0.124816 S\n0.265343 0.265058 0.372455 S\n0.848050 0.509005 0.498372 S\n0.710968 0.570151 0.395609 S\n0.174630 0.292787 0.097916 S\n0.443393 0.446864 0.270239 S\n0.690404 0.167747 0.222906 S\n0.091632 0.483357 0.203651 S\n0.678731 0.291819 0.105492 S\n0.980607 0.497059 0.319686 S\n0.847160 0.839550 0.571734 S\n0.303157 0.142234 0.600242 S\n0.058871 0.048984 0.466905 S\n0.890845 0.397324 0.631418 S\n0.275262 0.756751 0.426368 S\n0.681550 0.062987 0.401013 S\n0.562276 0.084209 0.522162 S\n0.459318 0.455882 0.771164 S\n0.902139 0.741804 0.799030 S\n0.653823 0.666442 0.672841 S\n0.315553 0.667425 0.600343 S\n0.193085 0.686589 0.728541 S\n0.084207 0.059310 0.982111 S\n0.512603 0.376329 0.001557 S\n0.959112 0.099130 0.699244 S\n0.267691 0.263061 0.870150 S\n0.473883 0.982383 0.828991 S\n0.900335 0.259700 0.798280 S\n0.460320 0.100554 0.701671 S\n0.787870 0.289297 0.932467 S\n0.541907 0.697056 0.901471 S\n0.485847 0.867177 0.003536 S\n0.056473 0.691816 0.901931 S\n",
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"formula_full": "Nd24 Mn4 S40",
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{
"id": "mp-676410",
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"structure_string": "Lu2 Ag2 S4\n1.0\n-2.685067 2.686052 5.918539\n2.685067 -2.686052 5.918539\n2.685067 2.686052 -5.918539\nLu Ag S\n2 2 4\ndirect\n0.115318 0.625155 0.990163 Lu\n0.365009 0.374845 0.490163 Lu\n0.624920 0.121750 0.003170 Ag\n0.881420 0.878250 0.503170 Ag\n0.888963 0.397776 0.991187 S\n0.349079 0.852598 0.996481 S\n0.593411 0.602224 0.491187 S\n0.143883 0.147402 0.496481 S\n",
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"formula_full": "Lu2 Ag2 S4",
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"spacegroup": 46
},
{
"id": "mp-1111426",
"created_at": "2022-09-04T14:42:25.710198Z",
"structure_string": "K2 Tl1 As1 F6\n1.0\n0.000000 4.693002 4.693002\n4.693002 0.000000 4.693002\n4.693002 4.693002 0.000000\nK Tl As F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.779920 0.220080 0.220080 F\n0.220080 0.220080 0.779920 F\n0.220080 0.779920 0.779920 F\n0.220080 0.779920 0.220080 F\n0.779920 0.220080 0.779920 F\n0.779920 0.779920 0.220080 F\n",
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"elements": [
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"chemical_system": "As-F-K-Tl",
"density": 3.7873996767728757,
"density_atomic": 0.04837464449971173,
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"formula_full": "K2 Tl1 As1 F6",
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{
"id": "mp-626654",
"created_at": "2022-09-04T14:42:25.615820Z",
"structure_string": "Al8 H24 O24\n1.0\n5.124014 0.000000 0.000000\n-0.080692 8.755947 0.000000\n-0.209240 -0.891988 9.306631\nAl H O\n8 24 24\ndirect\n0.055915 0.189573 0.478150 Al\n0.442933 0.692564 0.514830 Al\n0.472275 0.824365 0.006641 Al\n0.035928 0.324019 0.999282 Al\n0.996588 0.857146 0.511820 Al\n0.510177 0.356730 0.481874 Al\n0.514870 0.155462 0.999590 Al\n0.980795 0.658153 0.002043 Al\n0.190266 0.491085 0.350411 H\n0.334825 0.008723 0.612901 H\n0.700319 0.468145 0.128375 H\n0.830516 0.962519 0.901323 H\n0.834921 0.557298 0.608397 H\n0.678723 0.026670 0.379666 H\n0.303221 0.521063 0.868409 H\n0.367853 0.039492 0.217201 H\n0.866098 0.894591 0.179852 H\n0.632542 0.397441 0.880444 H\n0.663094 0.878881 0.708733 H\n0.811477 0.294538 0.286828 H\n0.167543 0.117567 0.793057 H\n0.357504 0.599644 0.159184 H\n0.841811 0.589643 0.363843 H\n0.764456 0.732346 0.275525 H\n0.666950 0.100913 0.612163 H\n0.726608 0.247483 0.727221 H\n0.336143 0.289042 0.209899 H\n0.162538 0.770387 0.787080 H\n0.188013 0.375727 0.699248 H\n0.269763 0.783575 0.290582 H\n0.650119 0.635702 0.797333 H\n0.942262 0.106293 0.142261 H\n0.369237 0.517682 0.381506 O\n0.150558 0.036751 0.609823 O\n0.883286 0.493222 0.112749 O\n0.640178 0.972141 0.892648 O\n0.644365 0.538763 0.604367 O\n0.867998 0.011907 0.386337 O\n0.126225 0.487780 0.887613 O\n0.375310 0.007447 0.113071 O\n0.342938 0.199384 0.370409 O\n0.154133 0.719756 0.620171 O\n0.787395 0.803211 0.126669 O\n0.709919 0.295976 0.882462 O\n0.662374 0.864101 0.602957 O\n0.835352 0.335038 0.388608 O\n0.209890 0.171245 0.888181 O\n0.287852 0.691863 0.121962 O\n0.786329 0.697136 0.377268 O\n0.720426 0.209455 0.616571 O\n0.352722 0.321628 0.109519 O\n0.157575 0.800664 0.897332 O\n0.218151 0.345207 0.597851 O\n0.290307 0.826691 0.391791 O\n0.649876 0.652686 0.902909 O\n0.839964 0.189636 0.108380 O\n",
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"formula_full": "Al8 H24 O24",
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{
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"structure_string": "Mn12 O4 F32\n1.0\n5.162489 0.000000 0.000000\n2.570952 4.490740 0.000000\n0.475323 0.205059 26.946749\nMn O F\n12 4 32\ndirect\n0.006751 0.014135 0.997166 Mn\n0.003604 0.020268 0.247632 Mn\n0.969281 0.007167 0.747121 Mn\n0.017556 0.968721 0.497273 Mn\n0.359791 0.321729 0.669487 Mn\n0.325749 0.317566 0.169416 Mn\n0.329650 0.359390 0.419502 Mn\n0.322643 0.322553 0.919169 Mn\n0.684326 0.645102 0.583706 Mn\n0.662541 0.670182 0.083418 Mn\n0.649294 0.662222 0.833078 Mn\n0.662683 0.689822 0.333644 Mn\n0.295265 0.661609 0.457966 O\n0.043922 0.283866 0.957261 O\n0.289502 0.049734 0.208721 O\n0.661348 0.286363 0.708028 O\n0.060909 0.655698 0.705984 F\n0.068883 0.646825 0.206200 F\n0.010954 0.582066 0.876705 F\n0.015346 0.610972 0.377711 F\n0.267732 0.658558 0.957895 F\n0.397138 0.601291 0.626026 F\n0.401216 0.597855 0.124352 F\n0.067058 0.281509 0.456788 F\n0.282813 0.062924 0.706823 F\n0.595438 0.383246 0.874901 F\n0.605725 0.403265 0.376280 F\n0.660288 0.279949 0.205857 F\n0.364493 0.904491 0.542874 F\n0.321568 0.948348 0.038951 F\n0.394960 0.980127 0.877079 F\n0.401005 0.015863 0.374371 F\n0.604587 0.012625 0.627252 F\n0.598792 0.003282 0.125001 F\n0.661132 0.061276 0.959228 F\n0.658299 0.062358 0.456199 F\n0.292602 0.751521 0.788921 F\n0.318339 0.750720 0.290701 F\n0.731555 0.958758 0.290553 F\n0.701076 0.937009 0.792873 F\n0.929556 0.741410 0.042918 F\n0.957187 0.695907 0.542302 F\n0.764127 0.287358 0.540074 F\n0.728901 0.344547 0.043482 F\n0.006949 0.395601 0.626069 F\n0.014987 0.389638 0.128357 F\n0.919546 0.370158 0.293612 F\n0.912929 0.344418 0.791075 F\n",
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{
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{
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"structure_string": "Th4 Cu6 Sn7\n1.0\n4.420461 0.000000 0.000000\n0.000000 4.420461 0.000000\n0.000000 0.000000 19.767986\nTh Cu Sn\n4 6 7\ndirect\n0.500000 0.500000 0.376912 Th\n0.500000 0.500000 0.894205 Th\n0.000000 0.000000 0.113739 Th\n0.000000 0.000000 0.621527 Th\n0.500000 0.000000 0.011202 Cu\n0.500000 0.000000 0.494302 Cu\n0.000000 0.500000 0.011202 Cu\n0.000000 0.500000 0.494302 Cu\n0.500000 0.500000 0.154603 Cu\n0.500000 0.500000 0.689444 Cu\n0.500000 0.000000 0.245998 Sn\n0.500000 0.000000 0.764822 Sn\n0.000000 0.500000 0.245998 Sn\n0.000000 0.500000 0.764822 Sn\n0.500000 0.500000 0.563031 Sn\n0.000000 0.000000 0.416067 Sn\n0.000000 0.000000 0.934924 Sn\n",
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{
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