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{
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{
"id": "mp-634105",
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"structure_string": "H1 Br1\n1.0\n0.000000 4.038815 4.254400\n1.676888 0.000000 4.254400\n1.676888 4.038815 0.000000\nH Br\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 Br\n",
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{
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"structure_string": "Na6 Bi2 P8 O28\n1.0\n7.407196 0.000000 0.000000\n3.331296 9.060408 0.000000\n2.131329 0.892971 9.434673\nNa Bi P O\n6 2 8 28\ndirect\n0.354808 0.148597 0.273654 Na\n0.052445 0.500775 0.161740 Na\n0.442534 0.458599 0.331844 Na\n0.557466 0.541401 0.668156 Na\n0.947555 0.499225 0.838260 Na\n0.645192 0.851403 0.726346 Na\n0.880498 0.122289 0.781493 Bi\n0.119502 0.877711 0.218507 Bi\n0.184944 0.135419 0.974543 P\n0.728622 0.107706 0.451079 P\n0.413753 0.333757 0.944701 P\n0.902099 0.341532 0.452732 P\n0.097901 0.658468 0.547268 P\n0.586247 0.666243 0.055299 P\n0.271378 0.892294 0.548921 P\n0.815056 0.864581 0.025457 P\n0.178965 0.034945 0.623930 O\n0.122348 0.163012 0.130732 O\n0.768567 0.028471 0.043862 O\n0.691501 0.077869 0.614313 O\n0.036505 0.236592 0.878811 O\n0.544461 0.208659 0.397125 O\n0.383160 0.181154 0.915220 O\n0.094773 0.356538 0.373379 O\n0.410226 0.334228 0.102638 O\n0.896202 0.186569 0.411326 O\n0.608183 0.329889 0.847338 O\n0.882528 0.324747 0.616476 O\n0.241879 0.467371 0.904437 O\n0.277972 0.532606 0.585606 O\n0.722028 0.467394 0.414394 O\n0.758121 0.532629 0.095563 O\n0.117472 0.675253 0.383524 O\n0.391817 0.670111 0.152662 O\n0.103798 0.813431 0.588674 O\n0.589774 0.665772 0.897362 O\n0.905227 0.643462 0.626621 O\n0.616840 0.818846 0.084780 O\n0.455539 0.791341 0.602875 O\n0.963495 0.763408 0.121189 O\n0.308499 0.922131 0.385687 O\n0.231433 0.971529 0.956138 O\n0.877652 0.836988 0.869268 O\n0.821035 0.965055 0.376070 O\n",
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"formula_full": "Na6 Bi2 P8 O28",
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},
{
"id": "mp-1201422",
"created_at": "2022-09-04T14:47:58.673736Z",
"structure_string": "V8 H112 C48 Cl8 O28\n1.0\n8.978146 0.000000 0.000000\n0.000000 11.533031 0.000000\n-4.504623 0.000000 22.958293\nV H C Cl O\n8 112 48 8 28\ndirect\n0.200975 0.037097 0.669290 V\n0.799025 0.537097 0.830710 V\n0.799025 0.962903 0.330710 V\n0.200975 0.462903 0.169290 V\n0.412360 0.206827 0.610464 V\n0.587640 0.706827 0.889536 V\n0.587640 0.793173 0.389536 V\n0.412360 0.293173 0.110464 V\n0.694182 0.141929 0.722023 H\n0.305818 0.641929 0.777977 H\n0.305818 0.858071 0.277977 H\n0.694182 0.358071 0.222023 H\n0.685795 0.159305 0.796795 H\n0.314205 0.659305 0.703205 H\n0.314205 0.840695 0.203205 H\n0.685795 0.340695 0.296795 H\n0.609210 0.031899 0.758863 H\n0.390790 0.531899 0.741137 H\n0.390790 0.968101 0.241137 H\n0.609210 0.468101 0.258863 H\n0.266464 0.811142 0.592251 H\n0.733536 0.311142 0.907749 H\n0.733536 0.188858 0.407749 H\n0.266464 0.688858 0.092251 H\n0.315714 0.811934 0.521861 H\n0.684286 0.311934 0.978139 H\n0.684286 0.188066 0.478139 H\n0.315714 0.688066 0.021861 H\n0.447781 0.862127 0.583255 H\n0.552219 0.362127 0.916745 H\n0.552219 0.137873 0.416745 H\n0.447781 0.637873 0.083255 H\n0.719917 0.954965 0.622526 H\n0.280083 0.454965 0.877474 H\n0.280083 0.045035 0.377474 H\n0.719917 0.545035 0.122526 H\n0.735495 0.807104 0.645927 H\n0.264505 0.307104 0.854073 H\n0.264505 0.192896 0.354073 H\n0.735495 0.692896 0.145927 H\n0.806906 0.919613 0.695732 H\n0.193094 0.419613 0.804268 H\n0.193094 0.080387 0.304268 H\n0.806906 0.580387 0.195732 H\n0.452455 0.583403 0.608269 H\n0.547545 0.083403 0.891731 H\n0.547545 0.416597 0.391731 H\n0.452455 0.916597 0.108269 H\n0.648084 0.584746 0.603716 H\n0.351916 0.084746 0.896284 H\n0.351916 0.415254 0.396284 H\n0.648084 0.915254 0.103716 H\n0.516778 0.504448 0.552096 H\n0.483222 0.004448 0.947904 H\n0.483222 0.495552 0.447904 H\n0.516778 0.995552 0.052096 H\n0.492338 0.282974 0.739375 H\n0.507662 0.782974 0.760625 H\n0.507662 0.717026 0.260625 H\n0.492338 0.217026 0.239375 H\n0.405703 0.171980 0.774796 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C\n0.262159 0.520041 0.049036 C\n0.943572 0.877196 0.630929 C\n0.056428 0.377196 0.869071 C\n0.056428 0.122804 0.369071 C\n0.943572 0.622804 0.130929 C\n0.578277 0.426622 0.638568 C\n0.421723 0.926622 0.861432 C\n0.421723 0.573378 0.361432 C\n0.578277 0.073378 0.138568 C\n0.082960 0.347996 0.654420 C\n0.917040 0.847996 0.845580 C\n0.917040 0.652004 0.345580 C\n0.082960 0.152004 0.154420 C\n0.036825 0.440228 0.607401 C\n0.963175 0.940228 0.892599 C\n0.963175 0.559772 0.392599 C\n0.036825 0.059772 0.107401 C\n0.953808 0.370382 0.554029 C\n0.046192 0.870382 0.945971 C\n0.046192 0.629618 0.445971 C\n0.953808 0.129618 0.054029 C\n0.982308 0.243049 0.572414 C\n0.017692 0.743049 0.927586 C\n0.017692 0.756951 0.427586 C\n0.982308 0.256951 0.072414 C\n0.624137 0.125872 0.754836 C\n0.375863 0.625872 0.745164 C\n0.375863 0.874128 0.245164 C\n0.624137 0.374128 0.254836 C\n0.326823 0.859404 0.563233 C\n0.673177 0.359404 0.936767 C\n0.673177 0.140596 0.436767 C\n0.326823 0.640596 0.063233 C\n0.792326 0.892015 0.650091 C\n0.207674 0.392015 0.849909 C\n0.207674 0.107985 0.349909 C\n0.792326 0.607985 0.150091 C\n0.545537 0.530508 0.598039 C\n0.454463 0.030508 0.901961 C\n0.454463 0.469492 0.401961 C\n0.545537 0.969492 0.098039 C\n0.115142 0.114091 0.746696 Cl\n0.884858 0.614091 0.753304 Cl\n0.884858 0.885909 0.253304 Cl\n0.115142 0.385909 0.246696 Cl\n0.311135 0.252975 0.515950 Cl\n0.688865 0.752975 0.984050 Cl\n0.688865 0.747025 0.484050 Cl\n0.311135 0.247025 0.015950 Cl\n0.107320 0.244398 0.622202 O\n0.892680 0.744398 0.877798 O\n0.892680 0.755602 0.377798 O\n0.107320 0.255602 0.122202 O\n0.580491 0.163525 0.606066 O\n0.419509 0.663525 0.893934 O\n0.419509 0.836475 0.393934 O\n0.580491 0.336475 0.106066 O\n0.277961 0.918263 0.697432 O\n0.722039 0.418263 0.802568 O\n0.722039 0.081737 0.302568 O\n0.277961 0.581737 0.197432 O\n0.379785 0.154481 0.686488 O\n0.620215 0.654481 0.813512 O\n0.620215 0.845519 0.313512 O\n0.379785 0.345519 0.186488 O\n0.284725 0.057285 0.598274 O\n0.715275 0.557285 0.901726 O\n0.715275 0.942715 0.401726 O\n0.284725 0.442715 0.098274 O\n0.447834 0.353619 0.634946 O\n0.552166 0.853619 0.865054 O\n0.552166 0.646381 0.365054 O\n0.447834 0.146381 0.134946 O\n0.021737 0.985299 0.630467 O\n0.978263 0.485299 0.869533 O\n0.978263 0.014701 0.369533 O\n0.021737 0.514701 0.130467 O\n",
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"formula_full": "V8 H112 C48 Cl8 O28",
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{
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"structure_string": "Er4 Zn12\n1.0\n4.377483 0.000000 0.000000\n0.000000 6.637453 0.000000\n0.000000 0.000000 10.046038\nEr Zn\n4 12\ndirect\n0.250000 0.278902 0.664209 Er\n0.250000 0.778902 0.835791 Er\n0.750000 0.721098 0.335791 Er\n0.750000 0.221098 0.164209 Er\n0.250000 0.535924 0.103447 Zn\n0.250000 0.035924 0.396553 Zn\n0.750000 0.464076 0.896553 Zn\n0.750000 0.964076 0.603447 Zn\n0.250000 0.919518 0.147581 Zn\n0.250000 0.419518 0.352419 Zn\n0.750000 0.080482 0.852419 Zn\n0.750000 0.580482 0.647581 Zn\n0.250000 0.216238 0.957390 Zn\n0.250000 0.716238 0.542610 Zn\n0.750000 0.783762 0.042610 Zn\n0.750000 0.283762 0.457390 Zn\n",
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{
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{
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