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{
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"structure_string": "Na2 Mo6 P6 O32\n1.0\n6.501861 0.000000 0.000000\n0.951252 7.726336 0.000000\n2.437509 1.973745 12.621334\nNa Mo P O\n2 6 6 32\ndirect\n0.599067 0.337721 0.328970 Na\n0.400933 0.662279 0.671030 Na\n0.203059 0.216284 0.539943 Mo\n0.796941 0.783716 0.460057 Mo\n0.403718 0.756981 0.163400 Mo\n0.596282 0.243019 0.836600 Mo\n0.058713 0.206479 0.144238 Mo\n0.941287 0.793521 0.855762 Mo\n0.573109 0.164561 0.101783 P\n0.426891 0.835439 0.898217 P\n0.307812 0.854908 0.421965 P\n0.692188 0.145092 0.578035 P\n0.064334 0.483646 0.316130 P\n0.935666 0.516354 0.683870 P\n0.195801 0.049001 0.644260 O\n0.804199 0.950999 0.355740 O\n0.897935 0.223279 0.521878 O\n0.102065 0.776721 0.478122 O\n0.518604 0.254985 0.520505 O\n0.481396 0.745015 0.479495 O\n0.299620 0.051453 0.428159 O\n0.700380 0.948547 0.571841 O\n0.135457 0.425026 0.622689 O\n0.864543 0.574974 0.377311 O\n0.225190 0.406371 0.388516 O\n0.774810 0.593629 0.611484 O\n0.086361 0.310845 0.017070 O\n0.913639 0.689155 0.982930 O\n0.980726 0.333766 0.271742 O\n0.019274 0.666234 0.728258 O\n0.741639 0.200687 0.165046 O\n0.258361 0.799313 0.834954 O\n0.131130 0.983018 0.137825 O\n0.868870 0.016982 0.862175 O\n0.357860 0.238362 0.161288 O\n0.642140 0.761638 0.838712 O\n0.600130 0.595232 0.184282 O\n0.399870 0.404768 0.815718 O\n0.377407 0.736379 0.011664 O\n0.622593 0.263621 0.988336 O\n0.159445 0.608449 0.217589 O\n0.840555 0.391551 0.782411 O\n0.356620 0.841227 0.303724 O\n0.643380 0.158773 0.696276 O\n0.575901 0.966725 0.102581 O\n0.424099 0.033275 0.897419 O\n",
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{
"id": "mp-765390",
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"structure_string": "Mn12 O2 F22\n1.0\n5.880199 0.000000 0.000000\n0.000000 4.942669 0.000000\n0.000000 0.082507 16.262713\nMn O F\n12 2 22\ndirect\n0.170340 0.996888 0.330492 Mn\n0.835264 0.011922 0.161262 Mn\n0.208060 0.000000 0.000000 Mn\n0.170340 0.003112 0.669508 Mn\n0.830663 0.000000 0.500000 Mn\n0.835264 0.988078 0.838738 Mn\n0.330007 0.500000 0.500000 Mn\n0.339004 0.514144 0.841165 Mn\n0.339004 0.485856 0.158835 Mn\n0.633339 0.500000 0.000000 Mn\n0.667525 0.502281 0.331262 Mn\n0.667525 0.497719 0.668738 Mn\n0.399992 0.281377 0.053693 O\n0.399992 0.718623 0.946307 O\n0.106979 0.236074 0.220443 F\n0.104699 0.229506 0.558521 F\n0.114164 0.217598 0.890726 F\n0.878868 0.248234 0.048654 F\n0.895873 0.231666 0.389615 F\n0.889845 0.220884 0.725961 F\n0.605280 0.265582 0.223246 F\n0.394560 0.267130 0.390028 F\n0.603619 0.269250 0.558790 F\n0.383158 0.285665 0.730101 F\n0.609792 0.270186 0.886750 F\n0.609792 0.729814 0.113250 F\n0.383158 0.714335 0.269899 F\n0.603619 0.730750 0.441210 F\n0.605280 0.734418 0.776754 F\n0.394560 0.732870 0.609972 F\n0.114164 0.782402 0.109274 F\n0.104699 0.770494 0.441479 F\n0.889845 0.779116 0.274039 F\n0.878868 0.751766 0.951346 F\n0.106979 0.763926 0.779557 F\n0.895873 0.768334 0.610385 F\n",
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"formula_full": "Mn12 O2 F22",
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"spacegroup": 3
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{
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"created_at": "2022-09-04T14:39:36.131759Z",
"structure_string": "Y4 Co4 O12\n1.0\n5.277071 -0.029972 -0.015379\n-0.031961 5.707250 -0.002903\n-0.022534 -0.004582 7.535402\nY Co O\n4 4 12\ndirect\n0.017301 0.920738 0.746597 Y\n0.475559 0.421982 0.747413 Y\n0.524441 0.578018 0.252587 Y\n0.982699 0.079262 0.253403 Y\n0.500001 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.799476 0.815623 0.051100 O\n0.309962 0.688734 0.557217 O\n0.690038 0.311266 0.442783 O\n0.200524 0.184377 0.948900 O\n0.297125 0.686455 0.947213 O\n0.814545 0.809578 0.441546 O\n0.185455 0.190422 0.558454 O\n0.702875 0.313545 0.052787 O\n0.606794 0.035207 0.744101 O\n0.119642 0.460841 0.253036 O\n0.393206 0.964793 0.255899 O\n0.880357 0.539159 0.746964 O\n",
"nsites": 20,
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"elements": [
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"formula_full": "Y4 Co4 O12",
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{
"id": "mp-935737",
"created_at": "2022-09-04T14:39:45.554980Z",
"structure_string": "Li6 Cr4 P10 O36\n1.0\n9.358017 0.000000 0.000000\n-1.099760 10.386005 0.000000\n-0.209624 -0.323524 6.391499\nLi Cr P O\n6 4 10 36\ndirect\n0.866516 0.008452 0.065989 Li\n0.133484 0.991548 0.934011 Li\n0.336169 0.876130 0.790197 Li\n0.402441 0.454667 0.734857 Li\n0.597559 0.545333 0.265143 Li\n0.663831 0.123870 0.209803 Li\n0.951503 0.323945 0.775309 Cr\n0.589940 0.769553 0.647179 Cr\n0.410060 0.230447 0.352821 Cr\n0.048497 0.676055 0.224691 Cr\n0.645528 0.272485 0.589897 P\n0.173657 0.181628 0.586559 P\n0.895749 0.828414 0.724293 P\n0.602283 0.774634 0.982296 P\n0.800377 0.480274 0.044130 P\n0.397717 0.225366 0.017704 P\n0.104251 0.171586 0.275707 P\n0.199623 0.519726 0.955870 P\n0.354472 0.727515 0.410103 P\n0.826343 0.818372 0.413441 P\n0.907519 0.897372 0.565728 O\n0.692416 0.583999 0.944555 O\n0.096694 0.334436 0.916863 O\n0.314099 0.027491 0.983209 O\n0.685901 0.972509 0.016791 O\n0.903306 0.665564 0.083137 O\n0.307584 0.416001 0.055445 O\n0.146613 0.683771 0.056640 O\n0.525597 0.710472 0.101570 O\n0.746561 0.393387 0.173374 O\n0.480621 0.220997 0.170345 O\n0.041925 0.985216 0.181291 O\n0.248274 0.195499 0.258145 O\n0.807083 0.995495 0.314787 O\n0.039689 0.371332 0.235124 O\n0.928670 0.666780 0.363168 O\n0.417036 0.935530 0.360472 O\n0.418339 0.533883 0.346400 O\n0.600400 0.266665 0.424980 O\n0.474403 0.289528 0.898430 O\n0.698813 0.714041 0.454186 O\n0.092481 0.102628 0.434272 O\n0.207998 0.711574 0.364476 O\n0.301187 0.285959 0.545814 O\n0.792002 0.288426 0.635524 O\n0.399600 0.733335 0.575020 O\n0.581661 0.466117 0.653600 O\n0.582964 0.064470 0.639528 O\n0.071330 0.333220 0.636832 O\n0.960311 0.628668 0.764876 O\n0.192917 0.004505 0.685213 O\n0.751726 0.804501 0.741855 O\n0.958075 0.014784 0.818709 O\n0.519379 0.779003 0.829655 O\n0.253439 0.606613 0.826626 O\n0.853387 0.316229 0.943360 O\n",
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{
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{
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"structure_string": "Mg1 Al4 H12 O12\n1.0\n-4.148666 2.630391 4.946145\n4.785708 -1.959090 5.752910\n4.088947 2.156671 -6.340248\nMg Al H O\n1 4 12 12\ndirect\n0.789872 0.119270 0.419899 Mg\n0.397860 0.815248 0.261056 Al\n0.545919 0.154780 0.709809 Al\n0.944959 0.670729 0.599101 Al\n0.042194 0.344854 0.347228 Al\n0.010565 0.032676 0.781770 H\n0.933654 0.990394 0.188206 H\n0.638707 0.499324 0.922884 H\n0.340189 0.442297 0.122851 H\n0.155554 0.703891 0.446417 H\n0.171399 0.437042 0.789673 H\n0.254152 0.142418 0.226036 H\n0.626170 0.827092 0.691524 H\n0.543274 0.745945 0.042147 H\n0.404202 0.229558 0.942314 H\n0.161957 0.248035 0.869843 H\n0.812744 0.591884 0.803696 H\n0.871363 0.906762 0.588990 O\n0.065923 0.093551 0.391667 O\n0.508519 0.415096 0.712186 O\n0.488360 0.581956 0.250942 O\n0.002904 0.604136 0.382689 O\n0.989789 0.420956 0.577837 O\n0.447401 0.088908 0.371147 O\n0.439081 0.866857 0.543727 O\n0.407214 0.819706 0.010803 O\n0.586565 0.208084 0.992303 O\n0.994365 0.234553 0.065440 O\n0.948829 0.708372 0.872494 O\n",
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{
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"structure_string": "Rb8 Zr1 Mo6 O24\n1.0\n9.634656 5.096384 0.000000\n-9.634656 5.096384 0.000000\n0.000000 2.469848 7.688741\nRb Zr Mo O\n8 1 6 24\ndirect\n0.208033 0.208033 0.349869 Rb\n0.791967 0.791967 0.650131 Rb\n0.663511 0.336489 0.500000 Rb\n0.336489 0.663511 0.500000 Rb\n0.863433 0.517446 0.894300 Rb\n0.517446 0.863433 0.894300 Rb\n0.136567 0.482554 0.105700 Rb\n0.482554 0.136567 0.105700 Rb\n0.000000 0.000000 0.000000 Zr\n0.943521 0.258127 0.708339 Mo\n0.258127 0.943521 0.708339 Mo\n0.056479 0.741873 0.291661 Mo\n0.741873 0.056479 0.291661 Mo\n0.388581 0.388581 0.793774 Mo\n0.611419 0.611419 0.206226 Mo\n0.935965 0.086604 0.805367 O\n0.086604 0.935965 0.805367 O\n0.064035 0.913396 0.194633 O\n0.913396 0.064035 0.194633 O\n0.760417 0.222224 0.772026 O\n0.222224 0.760417 0.772026 O\n0.239583 0.777776 0.227974 O\n0.777776 0.239583 0.227974 O\n0.068094 0.412158 0.791007 O\n0.412158 0.068094 0.791007 O\n0.931906 0.587842 0.208993 O\n0.587842 0.931906 0.208993 O\n0.018126 0.319033 0.477149 O\n0.319033 0.018126 0.477149 O\n0.981874 0.680967 0.522851 O\n0.680967 0.981874 0.522851 O\n0.415609 0.564384 0.804838 O\n0.564384 0.415609 0.804838 O\n0.584391 0.435616 0.195162 O\n0.435616 0.584391 0.195162 O\n0.217389 0.217389 0.969875 O\n0.782611 0.782611 0.030125 O\n0.350147 0.350147 0.594752 O\n0.649853 0.649853 0.405248 O\n",
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{
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"structure_string": "K8 Li12 Ga4 O16\n1.0\n8.908467 0.000000 0.000000\n0.000000 5.608256 0.000000\n0.000000 4.010301 10.322214\nK Li Ga O\n8 12 4 16\ndirect\n0.992786 0.291048 0.862686 K\n0.492786 0.708952 0.637314 K\n0.007214 0.708952 0.137314 K\n0.507214 0.291048 0.362686 K\n0.727866 0.279912 0.609211 K\n0.227866 0.720088 0.890789 K\n0.272134 0.720088 0.390789 K\n0.772134 0.279912 0.109211 K\n0.261470 0.382756 0.200987 Li\n0.761470 0.617244 0.299013 Li\n0.738530 0.617244 0.799013 Li\n0.238530 0.382756 0.700987 Li\n0.035283 0.093371 0.297234 Li\n0.535283 0.906629 0.202766 Li\n0.964717 0.906629 0.702766 Li\n0.464717 0.093371 0.797234 Li\n0.491028 0.628494 0.069857 Li\n0.991028 0.371506 0.430143 Li\n0.508972 0.371506 0.930143 Li\n0.008972 0.628494 0.569857 Li\n0.288559 0.102786 0.063508 Ga\n0.788559 0.897214 0.436492 Ga\n0.711441 0.897214 0.936492 Ga\n0.211441 0.102786 0.563508 Ga\n0.322224 0.749481 0.142430 O\n0.822224 0.250519 0.357570 O\n0.677776 0.250519 0.857570 O\n0.177776 0.749481 0.642430 O\n0.189894 0.232476 0.381762 O\n0.689894 0.767524 0.118238 O\n0.810106 0.767524 0.618238 O\n0.310106 0.232476 0.881762 O\n0.109040 0.217470 0.115039 O\n0.609040 0.782530 0.384961 O\n0.890960 0.782530 0.884961 O\n0.390960 0.217470 0.615039 O\n0.051367 0.258352 0.623492 O\n0.551367 0.741648 0.876508 O\n0.948633 0.741648 0.376508 O\n0.448633 0.258352 0.123492 O\n",
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},
{
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"created_at": "2022-09-04T14:39:46.662640Z",
"structure_string": "Yb4 Co4 B16\n1.0\n3.301789 0.000000 0.000000\n0.000000 5.901763 0.000000\n0.000000 0.000000 11.422253\nYb Co B\n4 4 16\ndirect\n0.000000 0.372897 0.650727 Yb\n0.000000 0.627103 0.349273 Yb\n0.000000 0.872897 0.849273 Yb\n0.000000 0.127103 0.150727 Yb\n0.000000 0.365990 0.911647 Co\n0.000000 0.634010 0.088353 Co\n0.000000 0.865990 0.588353 Co\n0.000000 0.134010 0.411647 Co\n0.500000 0.024742 0.689850 B\n0.500000 0.975258 0.310150 B\n0.500000 0.524742 0.810150 B\n0.500000 0.475258 0.189850 B\n0.500000 0.111457 0.546080 B\n0.500000 0.888543 0.453920 B\n0.500000 0.611457 0.953920 B\n0.500000 0.388543 0.046080 B\n0.500000 0.281409 0.317144 B\n0.500000 0.718591 0.682856 B\n0.500000 0.781409 0.182856 B\n0.500000 0.218591 0.817144 B\n0.500000 0.360234 0.468549 B\n0.500000 0.639766 0.531451 B\n0.500000 0.860234 0.031451 B\n0.500000 0.139766 0.968549 B\n",
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"elements": [
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"chemical_system": "B-Co-Yb",
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},
{
"id": "mp-1026787",
"created_at": "2022-09-04T14:39:44.057211Z",
"structure_string": "Li1 Mg14 Ga1\n1.0\n6.302517 -0.014063 0.000000\n-3.163437 5.479234 0.000000\n0.000000 0.000000 10.294974\nLi Mg Ga\n1 14 1\ndirect\n0.165580 0.332790 0.125000 Li\n0.168039 0.334019 0.625000 Mg\n0.167644 0.833822 0.625000 Mg\n0.669466 0.331802 0.125000 Mg\n0.665697 0.333114 0.625000 Mg\n0.669466 0.837663 0.125000 Mg\n0.665697 0.832582 0.625000 Mg\n0.329813 0.162703 0.369986 Mg\n0.329813 0.162703 0.880014 Mg\n0.329813 0.667111 0.369986 Mg\n0.329813 0.667111 0.880014 Mg\n0.833773 0.166887 0.374560 Mg\n0.833773 0.166887 0.875440 Mg\n0.836610 0.668305 0.371394 Mg\n0.836610 0.668305 0.878606 Mg\n0.168393 0.834196 0.125000 Ga\n",
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"elements": [
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],
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"density": 1.9499214929354338,
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"formula_full": "Li1 Mg14 Ga1",
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},
{
"id": "mp-1246492",
"created_at": "2022-09-04T14:39:41.392031Z",
"structure_string": "Mg2 Mn3 In1 S8\n1.0\n6.449507 0.035734 3.777468\n2.216761 6.029338 3.720967\n0.080340 -0.013305 7.417017\nMg Mn In S\n2 3 1 8\ndirect\n0.873912 0.874308 0.874221 Mg\n0.126104 0.125706 0.125750 Mg\n0.499964 0.499939 0.000120 Mn\n0.999986 0.499987 0.500057 Mn\n0.499951 0.999897 0.500115 Mn\n0.500006 0.500109 0.499889 In\n0.741149 0.739184 0.739157 S\n0.252497 0.253096 0.717306 S\n0.252522 0.717454 0.252857 S\n0.717178 0.248797 0.248862 S\n0.747488 0.282553 0.747069 S\n0.282834 0.751216 0.751107 S\n0.258868 0.260804 0.260838 S\n0.747546 0.746947 0.282654 S\n",
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"volume": 286.22127859244887,
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"formula_full": "Mg2 Mn3 In1 S8",
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},
{
"id": "mp-698396",
"created_at": "2022-09-04T14:39:17.957563Z",
"structure_string": "Cu2 H8 C4 N2 Cl6 O2\n1.0\n6.320241 0.000000 0.000000\n1.106281 7.844156 0.000000\n1.960560 2.464449 7.769967\nCu H C N Cl O\n2 8 4 2 6 2\ndirect\n0.703289 0.911379 0.612463 Cu\n0.296711 0.088621 0.387537 Cu\n0.969845 0.277637 0.753653 H\n0.030155 0.722363 0.246347 H\n0.913613 0.462039 0.858494 H\n0.086387 0.537961 0.141506 H\n0.719068 0.527215 0.572693 H\n0.280932 0.472785 0.427307 H\n0.509987 0.360047 0.708879 H\n0.490013 0.639953 0.291121 H\n0.884561 0.324804 0.865024 C\n0.115439 0.675196 0.134976 C\n0.569210 0.495360 0.675296 C\n0.430790 0.504640 0.324704 C\n0.757148 0.229779 0.986239 N\n0.242852 0.770221 0.013761 N\n0.621244 0.924662 0.359726 Cl\n0.378756 0.075338 0.640274 Cl\n0.017891 0.759516 0.565442 Cl\n0.982109 0.240484 0.434558 Cl\n0.756028 0.916962 0.857380 Cl\n0.243972 0.083038 0.142620 Cl\n0.477749 0.605733 0.745942 O\n0.522251 0.394267 0.254058 O\n",
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]
}