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{
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{
"id": "mp-1225932",
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{
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"structure_string": "Li12 Cr4 Si24 O60\n1.0\n7.887681 0.000000 0.000000\n0.000000 9.806784 0.000000\n0.000000 0.000000 14.933114\nLi Cr Si O\n12 4 24 60\ndirect\n0.750000 0.078747 0.941568 Li\n0.750000 0.421253 0.441568 Li\n0.999639 0.501078 0.758344 Li\n0.500361 0.501078 0.758344 Li\n0.000361 0.498922 0.241656 Li\n0.499639 0.498922 0.241656 Li\n0.250000 0.578747 0.558432 Li\n0.250000 0.921253 0.058432 Li\n0.000361 0.001078 0.741656 Li\n0.499639 0.001078 0.741656 Li\n0.999639 0.998922 0.258344 Li\n0.500361 0.998922 0.258344 Li\n0.750000 0.251965 0.749955 Cr\n0.750000 0.248035 0.249955 Cr\n0.250000 0.751965 0.750045 Cr\n0.250000 0.748035 0.250045 Cr\n0.250000 0.026282 0.597883 Si\n0.250000 0.023932 0.401169 Si\n0.440285 0.206243 0.899405 Si\n0.059715 0.206243 0.899405 Si\n0.056718 0.203519 0.100109 Si\n0.443282 0.203519 0.100109 Si\n0.056718 0.296481 0.600109 Si\n0.443282 0.296481 0.600109 Si\n0.440285 0.293757 0.399405 Si\n0.059715 0.293757 0.399405 Si\n0.250000 0.476068 0.901169 Si\n0.250000 0.473718 0.097883 Si\n0.750000 0.523932 0.098831 Si\n0.750000 0.526282 0.902117 Si\n0.559715 0.706243 0.600595 Si\n0.940285 0.706243 0.600595 Si\n0.943282 0.703519 0.399891 Si\n0.556718 0.703519 0.399891 Si\n0.943282 0.796481 0.899891 Si\n0.559715 0.793757 0.100595 Si\n0.940285 0.793757 0.100595 Si\n0.556718 0.796481 0.899891 Si\n0.750000 0.973718 0.402117 Si\n0.750000 0.976068 0.598831 Si\n0.750000 0.048633 0.500123 O\n0.750000 0.074769 0.683146 O\n0.750000 0.071438 0.317343 O\n0.414139 0.130934 0.604164 O\n0.085861 0.130934 0.604164 O\n0.415282 0.127890 0.394189 O\n0.084718 0.127890 0.394189 O\n0.250000 0.136785 0.891064 O\n0.250000 0.130049 0.101487 O\n0.925812 0.150833 0.827704 O\n0.574188 0.150833 0.827704 O\n0.938461 0.153889 0.179890 O\n0.561539 0.153889 0.179890 O\n0.520616 0.163222 0.999318 O\n0.979384 0.163222 0.999318 O\n0.520616 0.336778 0.499318 O\n0.979384 0.336778 0.499318 O\n0.925812 0.349167 0.327704 O\n0.938461 0.346111 0.679890 O\n0.561539 0.346111 0.679890 O\n0.574188 0.349167 0.327704 O\n0.250000 0.369951 0.601487 O\n0.250000 0.363215 0.391064 O\n0.084718 0.372110 0.894189 O\n0.085861 0.369066 0.104164 O\n0.414139 0.369066 0.104164 O\n0.415282 0.372110 0.894189 O\n0.750000 0.428562 0.817343 O\n0.750000 0.425231 0.183146 O\n0.750000 0.451367 0.000123 O\n0.250000 0.548633 0.999877 O\n0.250000 0.574769 0.816854 O\n0.250000 0.571438 0.182657 O\n0.915282 0.627890 0.105811 O\n0.584718 0.627890 0.105811 O\n0.914139 0.630934 0.895836 O\n0.585861 0.630934 0.895836 O\n0.750000 0.630049 0.398513 O\n0.750000 0.636785 0.608936 O\n0.438461 0.653889 0.320110 O\n0.061539 0.653889 0.320110 O\n0.425812 0.650833 0.672296 O\n0.074188 0.650833 0.672296 O\n0.020616 0.663222 0.500682 O\n0.479384 0.663222 0.500682 O\n0.020616 0.836778 0.000682 O\n0.479384 0.836778 0.000682 O\n0.438461 0.846111 0.820110 O\n0.061539 0.846111 0.820110 O\n0.425812 0.849167 0.172296 O\n0.074188 0.849167 0.172296 O\n0.750000 0.869951 0.898513 O\n0.750000 0.863215 0.108936 O\n0.585861 0.869066 0.395836 O\n0.915282 0.872110 0.605811 O\n0.584718 0.872110 0.605811 O\n0.914139 0.869066 0.395836 O\n0.250000 0.928562 0.682657 O\n0.250000 0.925231 0.316854 O\n0.250000 0.951367 0.499877 O\n",
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"formula_full": "Li12 Cr4 Si24 O60",
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},
{
"id": "mp-976257",
"created_at": "2022-09-04T14:40:21.844772Z",
"structure_string": "K1 Ti5 Se8\n1.0\n1.810461 9.454026 0.000000\n-1.810461 9.454026 0.000000\n0.000000 2.373288 8.924530\nK Ti Se\n1 5 8\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ti\n0.344265 0.344265 0.999021 Ti\n0.291528 0.291528 0.348139 Ti\n0.708472 0.708472 0.651861 Ti\n0.655735 0.655735 0.000979 Ti\n0.426083 0.426083 0.174771 Se\n0.913331 0.913331 0.820836 Se\n0.839537 0.839537 0.497745 Se\n0.756559 0.756559 0.165294 Se\n0.243441 0.243441 0.834707 Se\n0.160463 0.160463 0.502255 Se\n0.086669 0.086669 0.179164 Se\n0.573917 0.573917 0.825229 Se\n",
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"density": 4.946787364187398,
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"formula_full": "K1 Ti5 Se8",
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},
{
"id": "mp-1223988",
"created_at": "2022-09-04T14:40:19.046069Z",
"structure_string": "K2 Mo8 P16 O56\n1.0\n0.000000 0.000000 5.038495\n-10.841640 10.841640 2.519248\n-10.841640 -10.841640 -2.519248\nK Mo P O\n2 8 16 56\ndirect\n0.295491 0.250000 0.750000 K\n0.545491 0.750000 0.250000 K\n0.410022 0.279093 0.490247 Mo\n0.698867 0.220907 0.009753 Mo\n0.919775 0.490247 0.220907 Mo\n0.689115 0.009753 0.279093 Mo\n0.589341 0.719994 0.508606 Mo\n0.300730 0.780006 0.991394 Mo\n0.080735 0.508606 0.780006 Mo\n0.309336 0.991394 0.719994 Mo\n0.812358 0.390165 0.393767 P\n0.308756 0.109835 0.106233 P\n0.418591 0.393767 0.109835 P\n0.202523 0.106233 0.390165 P\n0.188658 0.609724 0.606280 P\n0.692102 0.890276 0.893720 P\n0.582379 0.606280 0.890276 P\n0.798382 0.893720 0.609724 P\n0.523534 0.440121 0.647479 P\n0.816176 0.059879 0.852521 P\n0.876055 0.647479 0.059879 P\n0.963655 0.852521 0.440121 P\n0.478151 0.559543 0.353412 P\n0.184282 0.940457 0.146588 P\n0.124739 0.353412 0.940457 P\n0.037694 0.146588 0.559543 P\n0.670345 0.488419 0.418706 O\n0.240059 0.011581 0.081294 O\n0.251640 0.418706 0.011581 O\n0.158764 0.081294 0.488419 O\n0.332556 0.513052 0.582644 O\n0.762964 0.986948 0.917356 O\n0.749912 0.582644 0.986948 O\n0.845608 0.917356 0.513052 O\n0.577316 0.357427 0.596321 O\n0.838423 0.142573 0.903679 O\n0.980995 0.596321 0.142573 O\n0.934744 0.903679 0.357427 O\n0.427999 0.643798 0.406276 O\n0.165522 0.856202 0.093724 O\n0.021724 0.406276 0.856202 O\n0.071797 0.093724 0.643798 O\n0.245420 0.200796 0.391322 O\n0.554893 0.299204 0.108678 O\n0.854097 0.391322 0.299204 O\n0.446215 0.108678 0.200796 O\n0.752019 0.799498 0.608820 O\n0.442697 0.700502 0.891180 O\n0.143199 0.608820 0.700502 O\n0.551517 0.891180 0.799498 O\n0.071969 0.375098 0.461260 O\n0.485807 0.124902 0.038740 O\n0.610708 0.461260 0.124902 O\n0.447067 0.038740 0.375098 O\n0.923332 0.627123 0.539982 O\n0.510473 0.872877 0.960018 O\n0.383350 0.539982 0.872877 O\n0.550456 0.960018 0.627123 O\n0.739823 0.179477 0.526663 O\n0.892638 0.320523 0.973337 O\n0.213160 0.526663 0.320523 O\n0.919301 0.973337 0.179477 O\n0.261910 0.817004 0.475917 O\n0.102996 0.682996 0.024083 O\n0.785993 0.475917 0.682996 O\n0.078913 0.024083 0.817004 O\n0.207515 0.221274 0.576735 O\n0.352054 0.278726 0.923265 O\n0.630780 0.576735 0.278726 O\n0.428790 0.923265 0.221274 O\n0.788723 0.777515 0.426194 O\n0.640044 0.722485 0.073806 O\n0.362530 0.426194 0.722485 O\n0.566238 0.073806 0.777515 O\n0.616712 0.327933 0.404728 O\n0.039916 0.172067 0.095272 O\n0.211984 0.404728 0.172067 O\n0.944645 0.095272 0.327933 O\n0.385975 0.672339 0.594186 O\n0.964128 0.827661 0.905814 O\n0.791789 0.594186 0.827661 O\n0.058314 0.905814 0.672339 O\n",
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"formula_full": "K2 Mo8 P16 O56",
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},
{
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"created_at": "2022-09-04T14:40:19.050547Z",
"structure_string": "Zr1 Cu1 P2 O12\n1.0\n-5.381429 0.000000 0.000000\n2.656284 4.704374 0.000000\n-0.734576 -1.326077 -9.313371\nZr Cu P O\n1 1 2 12\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Cu\n0.336638 0.606066 0.819789 P\n0.663362 0.393934 0.180211 P\n0.242039 0.312430 0.866591 O\n0.757961 0.687570 0.133409 O\n0.083834 0.144315 0.429610 O\n0.916166 0.855685 0.570390 O\n0.286453 0.573159 0.654184 O\n0.713547 0.426841 0.345816 O\n0.147013 0.730600 0.889814 O\n0.852987 0.269400 0.110186 O\n0.556798 0.822028 0.433771 O\n0.443202 0.177972 0.566229 O\n0.652588 0.812557 0.857090 O\n0.347412 0.187443 0.142910 O\n",
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"volume": 235.7796720763463,
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"formula_full": "Zr1 Cu1 P2 O12",
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"spacegroup": 2
},
{
"id": "mp-1213171",
"created_at": "2022-09-04T14:40:20.614145Z",
"structure_string": "K3 Yb1 Se6\n1.0\n-5.595899 -9.692382 0.000000\n-6.262651 10.077331 0.000000\n0.000000 0.000000 -64.397028\nK Yb Se\n3 1 6\ndirect\n-0.000000 -0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n-0.000000 0.500000 0.000000 K\n-0.000000 -0.000000 0.000000 Yb\n-0.000000 -0.000000 0.765224 Se\n-0.000000 -0.000000 0.234776 Se\n0.770073 0.758603 0.000000 Se\n0.229927 0.241397 0.000000 Se\n0.011471 0.241397 0.000000 Se\n0.988529 0.758603 0.000000 Se\n",
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{
"id": "mp-1100654",
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.461650 9.750254 0.000000\n-1.461650 9.750254 0.000000\n0.000000 0.976178 10.181372\nLi Mn Co O\n9 2 5 16\ndirect\n0.370732 0.370732 0.938291 Li\n0.127776 0.127776 0.807570 Li\n0.876465 0.876465 0.680923 Li\n0.622364 0.622364 0.551086 Li\n0.380060 0.380060 0.435110 Li\n0.125386 0.125386 0.317955 Li\n0.876025 0.876025 0.196687 Li\n0.625256 0.625256 0.067671 Li\n0.997978 0.997978 0.500784 Li\n0.999486 0.999486 0.001105 Mn\n0.498667 0.498667 0.742020 Mn\n0.749121 0.749121 0.874948 Co\n0.250238 0.250238 0.624896 Co\n0.750566 0.750566 0.375365 Co\n0.504006 0.504006 0.273488 Co\n0.250020 0.250020 0.124891 Co\n0.443468 0.443468 0.075451 O\n0.191537 0.191537 0.964661 O\n0.946669 0.946669 0.841419 O\n0.691684 0.691684 0.714835 O\n0.442098 0.442098 0.612491 O\n0.193335 0.193335 0.465652 O\n0.940457 0.940457 0.336719 O\n0.693359 0.693359 0.213509 O\n0.306363 0.306363 0.786923 O\n0.055596 0.055596 0.671000 O\n0.807120 0.807120 0.536130 O\n0.563261 0.563261 0.396495 O\n0.306901 0.306901 0.284492 O\n0.053347 0.053347 0.143682 O\n0.807711 0.807711 0.034317 O\n0.552949 0.552949 0.909438 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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"structure_string": "Li12 Mn12 F48\n1.0\n15.655638 0.000000 0.000000\n0.000000 7.561919 0.000000\n0.000000 1.937760 7.660621\nLi Mn F\n12 12 48\ndirect\n0.863371 0.853997 0.095742 Li\n0.203312 0.846129 0.085225 Li\n0.348048 0.627321 0.900690 Li\n0.040144 0.641644 0.901820 Li\n0.676034 0.680153 0.910397 Li\n0.502403 0.841893 0.082371 Li\n0.002403 0.158107 0.917629 Li\n0.176034 0.319847 0.089603 Li\n0.540144 0.358356 0.098180 Li\n0.848048 0.372679 0.099310 Li\n0.703312 0.153871 0.914775 Li\n0.363371 0.146003 0.904258 Li\n0.522837 0.963419 0.669350 Mn\n0.854423 0.953657 0.687096 Mn\n0.191837 0.950177 0.679588 Mn\n0.023106 0.539741 0.313329 Mn\n0.187976 0.452365 0.674568 Mn\n0.355695 0.544573 0.326350 Mn\n0.855695 0.455427 0.673650 Mn\n0.687976 0.547635 0.325432 Mn\n0.523106 0.460259 0.686671 Mn\n0.691837 0.049823 0.320412 Mn\n0.354423 0.046343 0.312904 Mn\n0.022837 0.036581 0.330650 Mn\n0.925366 0.964127 0.879175 F\n0.425050 0.986095 0.794160 F\n0.752868 0.935562 0.860070 F\n0.578772 0.859661 0.886376 F\n0.098531 0.871755 0.848159 F\n0.967951 0.937743 0.543563 F\n0.270254 0.836477 0.876477 F\n0.621058 0.931269 0.540920 F\n0.789555 0.950063 0.485387 F\n0.696034 0.833722 0.246783 F\n0.359056 0.789464 0.388366 F\n0.856911 0.693221 0.756136 F\n0.481374 0.694184 0.670779 F\n0.063659 0.775939 0.297333 F\n0.188248 0.735754 0.605655 F\n0.622559 0.555670 0.525687 F\n0.791551 0.553446 0.450471 F\n0.419008 0.643613 0.106237 F\n0.251117 0.447535 0.883142 F\n0.954346 0.534273 0.542164 F\n0.255650 0.610966 0.208334 F\n0.928700 0.625839 0.149684 F\n0.087431 0.443464 0.802176 F\n0.596855 0.478093 0.887847 F\n0.096855 0.521907 0.112153 F\n0.587431 0.556536 0.197824 F\n0.428700 0.374161 0.850316 F\n0.755650 0.389034 0.791666 F\n0.454346 0.465727 0.457836 F\n0.751117 0.552465 0.116858 F\n0.919008 0.356387 0.893763 F\n0.291551 0.446554 0.549529 F\n0.122559 0.444330 0.474313 F\n0.688248 0.264246 0.394345 F\n0.563659 0.224061 0.702667 F\n0.981374 0.305816 0.329221 F\n0.356911 0.306779 0.243864 F\n0.859056 0.210536 0.611634 F\n0.196034 0.166278 0.753217 F\n0.289555 0.049937 0.514613 F\n0.121058 0.068731 0.459080 F\n0.770254 0.163523 0.123523 F\n0.467951 0.062257 0.456437 F\n0.598531 0.128245 0.151841 F\n0.078772 0.140339 0.113624 F\n0.252868 0.064438 0.139930 F\n0.925050 0.013905 0.205840 F\n0.425366 0.035873 0.120825 F\n",
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]
}