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{
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{
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{
"id": "mp-774838",
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"structure_string": "Li2 Y14 Ti14 S14 O35\n1.0\n8.596313 0.000000 0.000000\n1.719642 12.034837 0.000000\n4.297222 4.297766 11.374970\nLi Y Ti S O\n2 14 14 14 35\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.785072 0.238950 0.332042 Y\n0.930342 0.523824 0.332117 Y\n0.926500 0.189773 0.669332 Y\n0.069658 0.476176 0.667883 Y\n0.217164 0.094162 0.333172 Y\n0.356917 0.380757 0.333628 Y\n0.073500 0.810227 0.330668 Y\n0.502733 0.331951 0.666982 Y\n0.357257 0.046706 0.668487 Y\n0.214928 0.761050 0.667958 Y\n0.642743 0.953294 0.331513 Y\n0.497267 0.668049 0.333018 Y\n0.643083 0.619243 0.666372 Y\n0.782836 0.905838 0.666828 Y\n0.151962 0.369403 0.163987 Ti\n0.854883 0.794268 0.164018 Ti\n0.004347 0.088537 0.164148 Ti\n0.995653 0.911463 0.835852 Ti\n0.292477 0.486495 0.836270 Ti\n0.145117 0.205732 0.835982 Ti\n0.848038 0.630597 0.836013 Ti\n0.707523 0.513505 0.163730 Ti\n0.575787 0.227245 0.160149 Ti\n0.431508 0.942968 0.159922 Ti\n0.287050 0.658371 0.159916 Ti\n0.568492 0.057032 0.840078 Ti\n0.424213 0.772755 0.839851 Ti\n0.712950 0.341629 0.840084 Ti\n0.819242 0.432730 0.588126 S\n0.038266 0.282943 0.407775 S\n0.896849 0.995990 0.407525 S\n0.180758 0.567270 0.411874 S\n0.103151 0.004010 0.592475 S\n0.245406 0.287390 0.592425 S\n0.961734 0.717057 0.592225 S\n0.611868 0.425860 0.407893 S\n0.322951 0.852822 0.412062 S\n0.466233 0.138848 0.411590 S\n0.677049 0.147178 0.587938 S\n0.388132 0.574140 0.592107 S\n0.533767 0.861152 0.588410 S\n0.754594 0.712610 0.407575 S\n0.799346 0.500317 0.798817 O\n0.919298 0.432829 0.187949 O\n0.790616 0.569169 0.999964 O\n0.930205 0.860171 0.999981 O\n0.209384 0.430831 0.000036 O\n0.058706 0.215053 0.200522 O\n0.200654 0.499683 0.201183 O\n0.919773 0.932995 0.187346 O\n0.799455 0.999996 0.798959 O\n0.944108 0.286861 0.798993 O\n0.069795 0.139829 0.000019 O\n0.080702 0.567171 0.812051 O\n0.230627 0.358349 0.799433 O\n0.941294 0.784947 0.799478 O\n0.200545 0.000004 0.201041 O\n0.080227 0.067005 0.812654 O\n0.345018 0.284707 0.200502 O\n0.055892 0.713139 0.201007 O\n0.517023 0.427962 0.799340 O\n0.486376 0.070768 0.200635 O\n0.626812 0.356701 0.201154 O\n0.341545 0.785908 0.200613 O\n0.355470 0.714752 0.999947 O\n0.500000 0.000000 0.000000 O\n0.372973 0.143764 0.798793 O\n0.228131 0.856779 0.798928 O\n0.644530 0.285248 0.000053 O\n0.373188 0.643299 0.798846 O\n0.658455 0.214092 0.799387 O\n0.482977 0.572038 0.200660 O\n0.771869 0.143221 0.201072 O\n0.627027 0.856236 0.201207 O\n0.513624 0.929232 0.799365 O\n0.654982 0.715293 0.799498 O\n0.769373 0.641651 0.200567 O\n",
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"elements": [
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"density_atomic": 0.06713119816792017,
"volume": 1176.8000893175113,
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"formula_full": "Li2 Y14 Ti14 S14 O35",
"formula_reduced": "Li2Y14Ti14(S2O5)7",
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"spacegroup": 2
},
{
"id": "mp-766207",
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"structure_string": "Zr12 Nb4 O34\n1.0\n2.665930 21.013135 0.000000\n-2.665930 21.013135 0.000000\n0.000000 0.535748 5.003526\nZr Nb O\n12 4 34\ndirect\n0.737841 0.262159 0.500000 Zr\n0.235020 0.764980 0.000000 Zr\n0.812730 0.054864 0.042559 Zr\n0.326937 0.414956 0.109989 Zr\n0.831435 0.911649 0.637918 Zr\n0.195301 0.421924 0.698403 Zr\n0.218890 0.282006 0.239102 Zr\n0.717994 0.781110 0.760898 Zr\n0.578076 0.804699 0.301597 Zr\n0.088351 0.168565 0.362082 Zr\n0.585044 0.673063 0.890011 Zr\n0.945136 0.187270 0.957441 Zr\n0.313227 0.553557 0.582573 Nb\n0.701003 0.920635 0.162888 Nb\n0.079365 0.298997 0.837112 Nb\n0.446443 0.686773 0.417427 Nb\n0.380897 0.565010 0.332293 O\n0.888144 0.063459 0.214738 O\n0.057076 0.869359 0.759632 O\n0.546283 0.380054 0.801228 O\n0.983814 0.847843 0.404882 O\n0.470592 0.358270 0.287179 O\n0.089353 0.716986 0.890935 O\n0.573940 0.232230 0.794864 O\n0.667989 0.046474 0.290818 O\n0.159808 0.551932 0.476056 O\n0.998264 0.682725 0.952006 O\n0.506737 0.173561 0.855403 O\n0.825847 0.778264 0.515640 O\n0.356297 0.247259 0.334672 O\n0.472242 0.087604 0.921884 O\n0.949334 0.613043 0.026766 O\n0.574150 0.912914 0.390949 O\n0.087086 0.425850 0.609051 O\n0.912396 0.527758 0.078116 O\n0.386957 0.050666 0.973234 O\n0.221736 0.174153 0.484360 O\n0.752741 0.643703 0.665328 O\n0.317275 0.001736 0.047994 O\n0.826439 0.493263 0.144597 O\n0.953526 0.332011 0.709182 O\n0.448068 0.840192 0.523944 O\n0.283014 0.910647 0.109065 O\n0.767770 0.426060 0.205136 O\n0.641730 0.529408 0.712821 O\n0.152157 0.016186 0.595118 O\n0.130641 0.942924 0.240368 O\n0.619946 0.453717 0.198772 O\n0.434990 0.619103 0.667707 O\n0.936541 0.111856 0.785262 O\n",
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},
{
"id": "mp-762322",
"created_at": "2022-09-04T14:44:28.275905Z",
"structure_string": "Li2 Ti4 P6 O24\n1.0\n4.359080 7.483788 0.000000\n-4.359080 7.483788 0.000000\n0.000000 5.002425 7.062584\nLi Ti P O\n2 4 6 24\ndirect\n0.191762 0.316062 0.689316 Li\n0.683938 0.808238 0.310684 Li\n0.640730 0.135342 0.839506 Ti\n0.140069 0.638430 0.333143 Ti\n0.864658 0.359270 0.160494 Ti\n0.361570 0.859931 0.666857 Ti\n0.471608 0.528392 0.500000 P\n0.966714 0.742575 0.002161 P\n0.257425 0.033286 0.997839 P\n0.756349 0.962482 0.499252 P\n0.037518 0.243651 0.500748 P\n0.534157 0.465843 0.000000 P\n0.000402 0.298707 0.322048 O\n0.871886 0.195495 0.681736 O\n0.804505 0.128114 0.318264 O\n0.502338 0.363445 0.680045 O\n0.456065 0.716274 0.497555 O\n0.636555 0.497662 0.319955 O\n0.701293 0.999598 0.677952 O\n0.423474 0.048417 0.003591 O\n0.283726 0.543935 0.502445 O\n0.776784 0.907262 0.008069 O\n0.951583 0.576526 0.996409 O\n0.092738 0.223216 0.991931 O\n0.925254 0.777925 0.492816 O\n0.066449 0.405510 0.505454 O\n0.222075 0.074746 0.507184 O\n0.719660 0.442843 0.006141 O\n0.594490 0.933551 0.494546 O\n0.306294 0.017238 0.805820 O\n0.365052 0.502466 0.176864 O\n0.557157 0.280340 0.993859 O\n0.497534 0.634948 0.823136 O\n0.202237 0.866527 0.168455 O\n0.133473 0.797763 0.831545 O\n0.982762 0.693706 0.194180 O\n",
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},
{
"id": "mp-757945",
"created_at": "2022-09-04T14:44:28.299201Z",
"structure_string": "Li12 Sn12 P12 O48\n1.0\n5.396720 0.000000 0.000000\n0.000000 8.684677 0.000000\n0.000000 0.000000 25.142354\nLi Sn P O\n12 12 12 48\ndirect\n0.741683 0.929233 0.090467 Li\n0.224716 0.417839 0.073721 Li\n0.734766 0.582961 0.259466 Li\n0.234766 0.082961 0.240534 Li\n0.724716 0.917839 0.426279 Li\n0.241683 0.429233 0.409533 Li\n0.741683 0.570767 0.590467 Li\n0.224716 0.082161 0.573721 Li\n0.734766 0.917039 0.759466 Li\n0.234766 0.417039 0.740534 Li\n0.724716 0.582161 0.926279 Li\n0.241683 0.070767 0.909533 Li\n0.741328 0.257911 0.982141 Sn\n0.216784 0.756920 0.183874 Sn\n0.757253 0.249400 0.149284 Sn\n0.257253 0.749400 0.350716 Sn\n0.716784 0.256920 0.316126 Sn\n0.241328 0.757911 0.517859 Sn\n0.741328 0.242089 0.482141 Sn\n0.216784 0.743080 0.683874 Sn\n0.757253 0.250600 0.649284 Sn\n0.257253 0.750600 0.850716 Sn\n0.716784 0.243080 0.816126 Sn\n0.241328 0.742089 0.017859 Sn\n0.724725 0.582007 0.061623 P\n0.255082 0.084086 0.104209 P\n0.727477 0.923603 0.226687 P\n0.227477 0.423603 0.273313 P\n0.755082 0.584086 0.395791 P\n0.224725 0.082007 0.438377 P\n0.724725 0.917993 0.561623 P\n0.255082 0.415914 0.604209 P\n0.727477 0.576397 0.726687 P\n0.227477 0.076397 0.773313 P\n0.755082 0.915914 0.895791 P\n0.224725 0.417993 0.938377 P\n0.696376 0.540386 0.002322 O\n0.378214 0.957012 0.070174 O\n0.414268 0.236160 0.098036 O\n0.985666 0.118728 0.084034 O\n0.880890 0.734546 0.065828 O\n0.457319 0.609529 0.084720 O\n0.862808 0.456258 0.093941 O\n0.248159 0.042755 0.163884 O\n0.741993 0.967792 0.167454 O\n0.096308 0.548444 0.239295 O\n0.495269 0.393009 0.251434 O\n0.072757 0.269491 0.268954 O\n0.572757 0.769491 0.231046 O\n0.995269 0.893009 0.248566 O\n0.596308 0.048444 0.260705 O\n0.241993 0.467792 0.332546 O\n0.748159 0.542755 0.336116 O\n0.362808 0.956258 0.406059 O\n0.957319 0.109529 0.415280 O\n0.380890 0.234546 0.434172 O\n0.485666 0.618728 0.415966 O\n0.914268 0.736160 0.401964 O\n0.878214 0.457012 0.429826 O\n0.196376 0.040386 0.497678 O\n0.696376 0.959614 0.502322 O\n0.378214 0.542988 0.570174 O\n0.414268 0.263840 0.598036 O\n0.985666 0.381272 0.584034 O\n0.880890 0.765454 0.565828 O\n0.457319 0.890471 0.584720 O\n0.862808 0.043742 0.593941 O\n0.248159 0.457245 0.663884 O\n0.741993 0.532208 0.667454 O\n0.096308 0.951556 0.739295 O\n0.495269 0.106991 0.751434 O\n0.072757 0.230509 0.768954 O\n0.572757 0.730509 0.731046 O\n0.995269 0.606991 0.748566 O\n0.596308 0.451556 0.760705 O\n0.241993 0.032208 0.832546 O\n0.748159 0.957245 0.836116 O\n0.362808 0.543742 0.906059 O\n0.957319 0.390471 0.915280 O\n0.380890 0.265454 0.934172 O\n0.485666 0.881272 0.915966 O\n0.914268 0.763840 0.901964 O\n0.878214 0.042988 0.929826 O\n0.196376 0.459614 0.997678 O\n",
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"volume": 1178.3912083790417,
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"formula_full": "Li12 Sn12 P12 O48",
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},
{
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"structure_string": "Na8 Li4 Ca4 V4 P8 O36\n1.0\n6.907395 0.000000 0.000000\n0.000000 10.586776 0.000000\n0.000000 0.000000 10.646148\nNa Li Ca V P O\n8 4 4 4 8 36\ndirect\n0.491574 0.144959 0.729222 Na\n0.007690 0.154035 0.740977 Na\n0.507690 0.654035 0.759023 Na\n0.991574 0.644959 0.770778 Na\n0.007690 0.345965 0.240977 Na\n0.491574 0.355041 0.229222 Na\n0.507690 0.845965 0.259023 Na\n0.991574 0.855041 0.270778 Na\n0.967180 0.997602 0.531579 Li\n0.467180 0.497602 0.968421 Li\n0.967180 0.502398 0.031579 Li\n0.467180 0.002398 0.468421 Li\n0.751160 0.439215 0.568969 Ca\n0.251160 0.939215 0.931031 Ca\n0.751160 0.060785 0.068969 Ca\n0.251160 0.560785 0.431031 Ca\n0.743779 0.792320 0.531928 V\n0.243779 0.292320 0.968072 V\n0.743779 0.707680 0.031928 V\n0.243779 0.207680 0.468072 V\n0.247391 0.855836 0.592973 P\n0.253150 0.416299 0.683610 P\n0.753150 0.916299 0.816390 P\n0.747391 0.355836 0.907027 P\n0.247391 0.644164 0.092973 P\n0.253150 0.083701 0.183610 P\n0.753150 0.583701 0.316390 P\n0.747391 0.144164 0.407027 P\n0.429704 0.816613 0.512853 O\n0.064803 0.812957 0.516612 O\n0.243360 0.005197 0.595204 O\n0.751441 0.647614 0.616657 O\n0.429859 0.484054 0.626747 O\n0.071624 0.483330 0.632529 O\n0.249745 0.274321 0.647218 O\n0.762334 0.929712 0.669290 O\n0.252550 0.800452 0.726534 O\n0.752550 0.300452 0.773466 O\n0.262334 0.429712 0.830710 O\n0.749745 0.774321 0.852782 O\n0.571624 0.983330 0.867471 O\n0.929859 0.984054 0.873253 O\n0.251441 0.147614 0.883343 O\n0.743360 0.505197 0.904796 O\n0.929704 0.316613 0.987147 O\n0.564803 0.312957 0.983388 O\n0.429704 0.683387 0.012853 O\n0.064803 0.687043 0.016612 O\n0.243360 0.494803 0.095204 O\n0.751441 0.852386 0.116657 O\n0.429859 0.015946 0.126747 O\n0.071624 0.016670 0.132529 O\n0.249745 0.225679 0.147218 O\n0.762334 0.570288 0.169290 O\n0.252550 0.699548 0.226534 O\n0.752550 0.199548 0.273466 O\n0.262334 0.070288 0.330710 O\n0.749745 0.725679 0.352782 O\n0.929859 0.515946 0.373253 O\n0.571624 0.516670 0.367471 O\n0.251441 0.352386 0.383343 O\n0.743360 0.994803 0.404796 O\n0.929704 0.183387 0.487147 O\n0.564803 0.187043 0.483388 O\n",
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