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{
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{
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{
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"structure_string": "Li9 V6 P12 H6 O48\n1.0\n7.886526 0.000000 0.000000\n0.011476 8.075566 0.000000\n2.427772 0.076410 13.547827\nLi V P H O\n9 6 12 6 48\ndirect\n0.975837 0.867382 0.179301 Li\n0.696803 0.128814 0.147417 Li\n0.202226 0.365860 0.151773 Li\n0.640106 0.869352 0.514898 Li\n0.363276 0.136548 0.483619 Li\n0.129844 0.637843 0.517021 Li\n0.802440 0.629155 0.850260 Li\n0.528982 0.372394 0.818070 Li\n0.298537 0.867287 0.847873 Li\n0.822655 0.501548 0.165422 V\n0.335804 0.992759 0.169539 V\n0.504017 0.503020 0.500224 V\n0.998376 0.008743 0.499200 V\n0.677489 0.002426 0.834053 V\n0.164171 0.495679 0.832283 V\n0.726083 0.846993 0.044459 P\n0.214213 0.649772 0.045380 P\n0.946806 0.157100 0.288899 P\n0.882446 0.655197 0.376784 P\n0.446108 0.350983 0.287998 P\n0.388563 0.851172 0.380116 P\n0.610769 0.158489 0.624326 P\n0.556324 0.655003 0.712451 P\n0.115928 0.350973 0.621733 P\n0.053299 0.850121 0.712072 P\n0.773777 0.346365 0.955763 P\n0.287223 0.149814 0.954463 P\n0.473725 0.506805 0.008670 H\n0.681747 0.012688 0.328231 H\n0.149680 0.510143 0.338558 H\n0.855302 0.494754 0.659582 H\n0.342811 0.008288 0.663189 H\n0.027870 0.008242 0.990728 H\n0.883603 0.945623 0.063665 O\n0.782495 0.327577 0.068433 O\n0.730654 0.670897 0.088771 O\n0.567169 0.946405 0.093613 O\n0.370702 0.543061 0.064103 O\n0.948238 0.324894 0.234246 O\n0.289669 0.169459 0.065499 O\n0.876695 0.674012 0.265327 O\n0.209996 0.815122 0.098620 O\n0.780396 0.061448 0.270539 O\n0.055484 0.543245 0.095705 O\n0.611874 0.454168 0.240754 O\n0.461021 0.183934 0.234195 O\n0.952496 0.175519 0.398444 O\n0.376502 0.829369 0.270979 O\n0.281004 0.438948 0.273810 O\n0.876171 0.820763 0.430795 O\n0.096631 0.048380 0.236572 O\n0.720137 0.553197 0.425431 O\n0.551117 0.945098 0.397686 O\n0.460134 0.331528 0.399555 O\n0.381433 0.680206 0.434420 O\n0.957310 0.455231 0.603472 O\n0.233828 0.957621 0.430818 O\n0.762010 0.052385 0.573306 O\n0.049780 0.565371 0.393776 O\n0.600110 0.329151 0.575591 O\n0.549003 0.676273 0.599680 O\n0.447303 0.059152 0.606393 O\n0.274261 0.458430 0.568011 O\n0.887153 0.954028 0.759220 O\n0.122533 0.185850 0.568092 O\n0.716309 0.558668 0.730122 O\n0.619121 0.177154 0.735393 O\n0.041250 0.830825 0.601601 O\n0.550552 0.826579 0.763551 O\n0.398298 0.551474 0.759998 O\n0.932369 0.446439 0.906650 O\n0.216774 0.939920 0.727535 O\n0.769376 0.170786 0.911918 O\n0.126915 0.332351 0.730443 O\n0.718525 0.828109 0.932007 O\n0.038712 0.683773 0.767486 O\n0.615461 0.444949 0.937283 O\n0.445194 0.042438 0.904743 O\n0.292099 0.315672 0.900678 O\n0.210755 0.670926 0.934458 O\n0.130197 0.044217 0.935502 O\n",
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{
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"structure_string": "Ce5 Zr3 O16\n1.0\n5.351261 -5.402605 0.000000\n5.351261 5.402605 0.000000\n0.000000 0.000000 5.406387\nCe Zr O\n5 3 16\ndirect\n0.500000 0.000000 0.991311 Ce\n0.242909 0.242909 0.500000 Ce\n0.000000 0.500000 0.008689 Ce\n0.757091 0.757091 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Zr\n0.744097 0.255903 0.500000 Zr\n0.255903 0.744097 0.500000 Zr\n0.974463 0.252185 0.290925 O\n0.764576 0.978156 0.202926 O\n0.747815 0.025537 0.709075 O\n0.021844 0.235424 0.797074 O\n0.523068 0.241202 0.270959 O\n0.235424 0.021844 0.202926 O\n0.252185 0.974463 0.709075 O\n0.483704 0.254504 0.762168 O\n0.025537 0.747815 0.290925 O\n0.745496 0.516296 0.237832 O\n0.758798 0.476932 0.729041 O\n0.978156 0.764576 0.797074 O\n0.476932 0.758798 0.270959 O\n0.254504 0.483704 0.237832 O\n0.241202 0.523068 0.729041 O\n0.516296 0.745496 0.762168 O\n",
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{
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"structure_string": "Ba6 Al4 Cu4 F32\n1.0\n5.394763 0.000000 0.000000\n0.000000 7.495181 0.000000\n0.000000 1.891416 16.133042\nBa Al Cu F\n6 4 4 32\ndirect\n0.740988 0.308454 0.184681 Ba\n0.258945 0.837950 0.114513 Ba\n0.758945 0.162050 0.885487 Ba\n0.240988 0.691546 0.815319 Ba\n0.688497 0.253120 0.469716 Ba\n0.188497 0.746880 0.530284 Ba\n0.179429 0.079460 0.340431 Al\n0.234266 0.330715 0.024632 Al\n0.734266 0.669285 0.975368 Al\n0.679429 0.920540 0.659569 Al\n0.211591 0.215836 0.695633 Cu\n0.688767 0.436502 0.670454 Cu\n0.711591 0.784164 0.304367 Cu\n0.188767 0.563498 0.329546 Cu\n0.511086 0.367022 0.769517 F\n0.198533 0.099548 0.453187 F\n0.331173 0.863091 0.362651 F\n0.961030 0.793214 0.677418 F\n0.499972 0.594094 0.264132 F\n0.220436 0.301499 0.916821 F\n0.461030 0.206786 0.322582 F\n0.746860 0.599912 0.873259 F\n0.998048 0.815759 0.955597 F\n0.246860 0.400088 0.126741 F\n0.698533 0.900452 0.546813 F\n0.942808 0.472793 0.007953 F\n0.128609 0.053439 0.790970 F\n0.720436 0.698501 0.083179 F\n0.874320 0.965105 0.364986 F\n0.498048 0.184241 0.044403 F\n0.996167 0.289507 0.329456 F\n0.340400 0.500237 0.433487 F\n0.442808 0.527207 0.992047 F\n0.011086 0.632978 0.230483 F\n0.831173 0.136909 0.637349 F\n0.999972 0.405906 0.735868 F\n0.129656 0.058536 0.232414 F\n0.367610 0.389695 0.611386 F\n0.023207 0.146201 0.053370 F\n0.523207 0.853799 0.946630 F\n0.496167 0.710493 0.670544 F\n0.840400 0.499763 0.566513 F\n0.629656 0.941464 0.767586 F\n0.867610 0.610305 0.388614 F\n0.374320 0.034895 0.635014 F\n0.628609 0.946561 0.209030 F\n",
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{
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"structure_string": "Nb2 H8 Se4\n1.0\n7.354121 0.000000 -2.035528\n-3.677061 6.879116 1.017764\n-1.644068 0.000000 7.592247\nNb H Se\n2 8 4\ndirect\n0.377795 0.599235 0.309632 Nb\n0.778561 0.400765 0.809632 Nb\n0.189929 0.815557 0.205952 H\n0.244446 0.354256 0.372473 H\n0.994969 0.001090 0.996630 H\n0.660990 0.756487 0.377759 H\n0.374372 0.184443 0.705952 H\n0.890189 0.645744 0.872473 H\n0.904503 0.243513 0.877759 H\n0.993879 0.998910 0.496630 H\n0.226124 0.568636 0.969692 Se\n0.232475 0.758197 0.415962 Se\n0.474279 0.241803 0.915962 Se\n0.657488 0.431364 0.469692 Se\n",
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{
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"structure_string": "Bi4 P2 O12\n1.0\n2.864908 -7.318788 0.000000\n2.864908 7.318788 0.000000\n0.000000 0.000000 5.761178\nBi P O\n4 2 12\ndirect\n0.834493 0.165507 0.500000 Bi\n0.665507 0.334493 0.000000 Bi\n0.165507 0.834493 0.500000 Bi\n0.334493 0.665507 0.000000 Bi\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 P\n0.216229 0.083144 0.148854 O\n0.783771 0.916856 0.148854 O\n0.416856 0.283771 0.648854 O\n0.083144 0.216229 0.851146 O\n0.716229 0.583144 0.351146 O\n0.000000 0.500000 0.738372 O\n0.000000 0.500000 0.238372 O\n0.283771 0.416856 0.351146 O\n0.916856 0.783771 0.851146 O\n0.583144 0.716229 0.648854 O\n0.500000 0.000000 0.761628 O\n0.500000 0.000000 0.261628 O\n",
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{
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{
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"updated_at": "2021-11-28T01:38:30.720000Z",
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},
{
"id": "mp-1075496",
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"structure_string": "Mg10 Si12\n1.0\n2.099816 15.009582 0.000000\n-2.099816 15.009582 0.000000\n0.000000 0.878763 6.421496\nMg Si\n10 12\ndirect\n0.738598 0.738598 0.983057 Mg\n0.945025 0.945025 0.524467 Mg\n0.519622 0.519622 0.648276 Mg\n0.370426 0.370426 0.398488 Mg\n0.786219 0.786219 0.461603 Mg\n0.113184 0.113184 0.576998 Mg\n0.484695 0.484695 0.181774 Mg\n0.404866 0.404866 0.863736 Mg\n0.217386 0.217386 0.508144 Mg\n0.155414 0.155414 0.048580 Mg\n0.668082 0.668082 0.733343 Si\n0.668817 0.668817 0.344469 Si\n0.916028 0.916028 0.165767 Si\n0.974615 0.974615 0.881304 Si\n0.591397 0.591397 0.906568 Si\n0.291307 0.291307 0.144961 Si\n0.852507 0.852507 0.703702 Si\n0.042518 0.042518 0.341816 Si\n0.590428 0.590428 0.280846 Si\n0.293669 0.293669 0.758518 Si\n0.840571 0.840571 0.077823 Si\n0.050010 0.050010 0.962130 Si\n",
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"elements": [
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"density": 2.379676623764814,
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"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
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},
{
"id": "mp-1097127",
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{
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]
}