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{
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{
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{
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"structure_string": "Li12 B20 H8 O40\n1.0\n6.940908 0.000000 0.000000\n0.000000 6.940908 0.000000\n0.000000 0.000000 14.695267\nLi B H O\n12 20 8 40\ndirect\n0.364831 0.351807 0.092939 Li\n0.635169 0.648193 0.592939 Li\n0.851807 0.135169 0.342939 Li\n0.148193 0.864831 0.842939 Li\n0.648193 0.635169 0.407061 Li\n0.351807 0.364831 0.907061 Li\n0.135169 0.851807 0.657061 Li\n0.864831 0.148193 0.157061 Li\n0.305654 0.694346 0.250000 Li\n0.694346 0.305654 0.750000 Li\n0.194346 0.194346 0.500000 Li\n0.805654 0.805654 0.000000 Li\n0.256838 0.997358 0.142251 B\n0.743162 0.002642 0.642251 B\n0.497358 0.243162 0.392251 B\n0.502642 0.756838 0.892251 B\n0.002642 0.743162 0.357749 B\n0.997358 0.256838 0.857749 B\n0.243162 0.497358 0.607749 B\n0.756838 0.502642 0.107749 B\n0.257046 0.238956 0.272160 B\n0.742954 0.761044 0.772160 B\n0.738956 0.242954 0.522160 B\n0.261044 0.757046 0.022160 B\n0.761044 0.742954 0.227840 B\n0.238956 0.257046 0.727840 B\n0.242954 0.738956 0.477840 B\n0.757046 0.261044 0.977840 B\n0.563708 0.436292 0.250000 B\n0.436292 0.563708 0.750000 B\n0.936292 0.936292 0.500000 B\n0.063708 0.063708 0.000000 B\n0.014947 0.401583 0.266104 H\n0.985053 0.598417 0.766104 H\n0.901583 0.485053 0.516104 H\n0.098417 0.514947 0.016104 H\n0.598417 0.985053 0.233896 H\n0.401583 0.014947 0.733896 H\n0.485053 0.901583 0.483896 H\n0.514947 0.098417 0.983896 H\n0.280925 0.807498 0.119878 O\n0.719075 0.192502 0.619878 O\n0.307498 0.219075 0.369878 O\n0.692502 0.780925 0.869878 O\n0.192502 0.719075 0.380122 O\n0.807498 0.280925 0.880122 O\n0.219075 0.307498 0.630122 O\n0.780925 0.692502 0.130122 O\n0.357677 0.404549 0.231013 O\n0.642323 0.595451 0.731013 O\n0.904549 0.142323 0.481013 O\n0.095451 0.857677 0.981013 O\n0.595451 0.642323 0.268987 O\n0.404549 0.357677 0.768987 O\n0.142323 0.904549 0.518987 O\n0.857677 0.095451 0.018987 O\n0.676192 0.371320 0.168026 O\n0.323808 0.628680 0.668026 O\n0.871320 0.823808 0.418026 O\n0.128680 0.176192 0.918026 O\n0.628680 0.323808 0.331974 O\n0.371320 0.676192 0.831974 O\n0.823808 0.871320 0.581974 O\n0.176192 0.128680 0.081974 O\n0.315538 0.053312 0.227553 O\n0.684462 0.946688 0.727553 O\n0.553312 0.184462 0.477553 O\n0.446688 0.815538 0.977553 O\n0.946688 0.684462 0.272447 O\n0.053312 0.315538 0.772447 O\n0.184462 0.553312 0.522447 O\n0.815538 0.446688 0.022447 O\n0.045815 0.263014 0.262443 O\n0.954185 0.736986 0.762443 O\n0.763014 0.454185 0.512443 O\n0.236986 0.545815 0.012443 O\n0.736986 0.954185 0.237557 O\n0.263014 0.045815 0.737557 O\n0.454185 0.763014 0.487557 O\n0.545815 0.236986 0.987557 O\n",
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"formula_full": "Li12 B20 H8 O40",
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"spacegroup": 96
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{
"id": "mp-1518151",
"created_at": "2022-09-04T14:44:10.763560Z",
"structure_string": "Na1 La1 Hf1 Zr1 O6\n1.0\n-0.000000 -4.137932 -4.137932\n4.137932 -0.000000 -4.137932\n4.137932 -4.137932 -0.000000\nNa La Hf Zr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 La\n0.000000 -0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.751754 0.248246 0.248246 O\n0.248246 0.751754 0.751754 O\n0.751754 0.248246 0.751754 O\n0.248246 0.751754 0.248246 O\n0.751754 0.751754 0.248246 O\n0.248246 0.248246 0.751754 O\n",
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{
"id": "mp-505040",
"created_at": "2022-09-04T14:44:14.094239Z",
"structure_string": "Cs2 K4 Fe2 O5\n1.0\n-3.050794 6.073004 -0.061204\n0.050162 0.080771 7.042365\n6.796096 -0.042414 -0.061205\nCs K Fe O\n2 4 2 5\ndirect\n0.670434 0.801141 0.670434 Cs\n0.329567 0.198855 0.329567 Cs\n0.238504 0.499999 0.761495 K\n0.761496 0.499998 0.238504 K\n0.777457 0.999998 0.222543 K\n0.222543 0.999998 0.777457 K\n0.197530 0.690847 0.197532 Fe\n0.802468 0.309172 0.802468 Fe\n0.000002 0.500001 0.000002 O\n0.146241 0.771817 0.436652 O\n0.563346 0.228178 0.853760 O\n0.853760 0.228178 0.563346 O\n0.436652 0.771818 0.146241 O\n",
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{
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{
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"structure_string": "Cd2 Fe4 O8\n1.0\n5.407542 0.001559 3.120710\n1.803986 5.097758 -3.120714\n-5.407543 -0.001563 3.120711\nCd Fe O\n2 4 8\ndirect\n0.375000 0.125000 0.250000 Cd\n0.625000 0.875000 0.750000 Cd\n0.000000 0.500000 0.500001 Fe\n0.500001 0.500000 0.000001 Fe\n0.000000 0.000000 0.500001 Fe\n0.000001 0.500000 0.000000 Fe\n0.197409 0.732439 0.464969 O\n0.232531 0.267561 0.964970 O\n0.232441 0.697408 0.964966 O\n0.232441 0.267474 0.535033 O\n0.767558 0.302592 0.035033 O\n0.767558 0.732525 0.464967 O\n0.802591 0.267561 0.535030 O\n0.767469 0.732439 0.035030 O\n",
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{
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{
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"structure_string": "Sr4 Sm2 Mg1 Ta2 O12\n1.0\n4.897221 -0.034541 -3.304059\n-0.278252 6.219137 -0.342525\n5.149229 -0.609177 7.078475\nSr Sm Mg Ta O\n4 2 1 2 12\ndirect\n0.025978 0.385691 0.322778 Sr\n0.983662 0.487765 0.734753 Sr\n0.509464 0.062413 0.213631 Sr\n0.469332 0.995619 0.730867 Sr\n0.997020 0.939203 0.478661 Sm\n0.469084 0.533753 0.999012 Sm\n0.958373 0.706450 0.106067 Mg\n0.992327 0.068830 0.966870 Ta\n0.503232 0.459281 0.516983 Ta\n0.942581 0.026825 0.202257 O\n0.020484 0.069493 0.747092 O\n0.528286 0.455441 0.292238 O\n0.455432 0.414932 0.745454 O\n0.184961 0.782579 0.943190 O\n0.826359 0.350127 0.996079 O\n0.292502 0.183098 0.468839 O\n0.724296 0.696840 0.565389 O\n0.275917 0.217298 0.023777 O\n0.721043 0.842923 0.963893 O\n0.237290 0.656871 0.541910 O\n0.757378 0.237484 0.510573 O\n",
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"updated_at": "2021-11-28T01:36:33.157000Z",
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},
{
"id": "mp-27968",
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"structure_string": "Li24 Ge8 O28\n1.0\n5.371178 0.000000 0.000000\n0.000000 8.182421 0.000000\n0.000000 7.429600 14.378723\nLi Ge O\n24 8 28\ndirect\n0.281116 0.399537 0.805058 Li\n0.781116 0.600463 0.694942 Li\n0.718884 0.600463 0.194942 Li\n0.218884 0.399537 0.305058 Li\n0.129802 0.653652 0.884283 Li\n0.629802 0.346348 0.615717 Li\n0.870198 0.346348 0.115717 Li\n0.370198 0.653652 0.384283 Li\n0.168149 0.126826 0.243391 Li\n0.668149 0.873174 0.256609 Li\n0.853020 0.739194 0.984439 Li\n0.353020 0.260806 0.515561 Li\n0.146980 0.260806 0.015561 Li\n0.646980 0.739194 0.484439 Li\n0.305852 0.991353 0.957051 Li\n0.805852 0.008647 0.542949 Li\n0.694148 0.008647 0.042949 Li\n0.194148 0.991353 0.457051 Li\n0.486748 0.821457 0.879007 Li\n0.986748 0.178543 0.620993 Li\n0.513252 0.178543 0.120993 Li\n0.013252 0.821457 0.379007 Li\n0.831851 0.873174 0.756609 Li\n0.331851 0.126826 0.743391 Li\n0.649154 0.439361 0.913052 Ge\n0.149154 0.560639 0.586948 Ge\n0.350846 0.560639 0.086948 Ge\n0.850846 0.439361 0.413052 Ge\n0.827563 0.155919 0.830699 Ge\n0.327563 0.844081 0.669301 Ge\n0.172437 0.844081 0.169301 Ge\n0.672437 0.155919 0.330699 Ge\n0.227921 0.870510 0.767191 O\n0.730049 0.662022 0.380201 O\n0.269951 0.337978 0.619799 O\n0.769951 0.662022 0.880201 O\n0.176956 0.442430 0.410892 O\n0.676956 0.557570 0.089108 O\n0.727921 0.129490 0.732809 O\n0.323044 0.442430 0.910892 O\n0.788016 0.382036 0.315679 O\n0.288016 0.617964 0.184321 O\n0.211984 0.617964 0.684321 O\n0.711984 0.382036 0.815679 O\n0.772079 0.129490 0.232809 O\n0.272079 0.870510 0.267191 O\n0.221786 0.732051 0.982699 O\n0.721786 0.267949 0.517301 O\n0.778214 0.267949 0.017301 O\n0.278214 0.732051 0.482699 O\n0.676240 0.979895 0.928360 O\n0.176240 0.020105 0.571640 O\n0.323760 0.020105 0.071640 O\n0.823044 0.557570 0.589108 O\n0.152516 0.159729 0.840104 O\n0.652516 0.840271 0.659896 O\n0.847484 0.840271 0.159896 O\n0.347484 0.159729 0.340104 O\n0.230049 0.337978 0.119799 O\n0.823760 0.979895 0.428360 O\n",
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},
{
"id": "mp-562663",
"created_at": "2022-09-04T14:44:15.805291Z",
"structure_string": "Rb4 Co4 C16 O16\n1.0\n2.953851 11.271855 0.000000\n-2.953851 11.271855 0.000000\n0.000000 8.489912 11.808290\nRb Co C O\n4 4 16 16\ndirect\n0.871557 0.781530 0.061109 Rb\n0.781530 0.871557 0.561109 Rb\n0.128443 0.218470 0.938891 Rb\n0.218470 0.128443 0.438891 Rb\n0.831693 0.413288 0.738739 Co\n0.413288 0.831693 0.238739 Co\n0.168307 0.586712 0.261261 Co\n0.586712 0.168307 0.761261 Co\n0.105981 0.265691 0.659064 C\n0.265691 0.105981 0.159064 C\n0.894019 0.734309 0.340936 C\n0.734309 0.894019 0.840936 C\n0.662302 0.631286 0.801163 C\n0.631286 0.662302 0.301163 C\n0.337698 0.368714 0.198837 C\n0.368714 0.337698 0.698837 C\n0.882181 0.197286 0.841116 C\n0.197286 0.882181 0.341116 C\n0.117819 0.802714 0.158884 C\n0.802714 0.117819 0.658884 C\n0.650012 0.562233 0.656496 C\n0.562233 0.650012 0.156496 C\n0.349988 0.437767 0.343504 C\n0.437767 0.349988 0.843504 C\n0.293964 0.159846 0.602633 O\n0.159846 0.293964 0.102633 O\n0.706036 0.840154 0.397367 O\n0.840154 0.706036 0.897367 O\n0.541781 0.786153 0.840297 O\n0.786153 0.541781 0.340297 O\n0.458219 0.213847 0.159703 O\n0.213847 0.458219 0.659703 O\n0.912953 0.054530 0.908257 O\n0.054530 0.912953 0.408257 O\n0.087047 0.945470 0.091743 O\n0.945470 0.087047 0.591743 O\n0.520742 0.666998 0.604305 O\n0.666998 0.520742 0.104305 O\n0.479258 0.333002 0.395695 O\n0.333002 0.479258 0.895695 O\n",
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}
]
}