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{
"id": "mp-17774",
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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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"formula_full": "K8 Li12 Ga4 O16",
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},
{
"id": "mp-1234204",
"created_at": "2022-09-04T14:39:36.704227Z",
"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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"formula_full": "Mg1 Al4 H12 O12",
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"spacegroup": 1
},
{
"id": "mp-1209035",
"created_at": "2022-09-04T14:39:30.507017Z",
"structure_string": "Sc2 N2 F8\n1.0\n3.956714 0.000000 0.000000\n-1.978357 5.506636 0.000000\n0.000000 0.000000 7.823017\nSc N F\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.310420 0.620839 0.250000 N\n0.689580 0.379161 0.750000 N\n0.500000 0.000000 0.000000 F\n0.500000 0.000000 0.500000 F\n0.174084 0.348167 0.592681 F\n0.825916 0.651833 0.407319 F\n0.825916 0.651833 0.092681 F\n0.174084 0.348167 0.907319 F\n0.056722 0.113444 0.250000 F\n0.943278 0.886556 0.750000 F\n",
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"formula_full": "Sc2 N2 F8",
"formula_reduced": "ScNF4",
"formula_anonymous": "ABC4",
"energy": -69.08722543,
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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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"formula_full": "Li6 Cr4 P10 O36",
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"spacegroup": 2
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{
"id": "mp-765390",
"created_at": "2022-09-04T14:39:10.894032Z",
"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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{
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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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{
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{
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{
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{
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{
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}