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{
"id": "mp-1178465",
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{
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{
"id": "mp-23084",
"created_at": "2022-09-04T14:40:32.123135Z",
"structure_string": "Bi2 Pb2 Cl2 O4\n1.0\n2.857823 -6.341799 0.000000\n2.857823 6.341799 0.000000\n0.000000 0.000000 5.654331\nBi Pb Cl O\n2 2 2 4\ndirect\n0.912429 0.087571 0.750000 Bi\n0.087571 0.912429 0.250000 Bi\n0.606771 0.393229 0.750000 Pb\n0.393229 0.606771 0.250000 Pb\n0.253934 0.746066 0.750000 Cl\n0.746066 0.253934 0.250000 Cl\n0.237727 0.237727 0.500000 O\n0.762273 0.762273 0.000000 O\n0.762273 0.762273 0.500000 O\n0.237727 0.237727 0.000000 O\n",
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"formula_full": "Bi2 Pb2 Cl2 O4",
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{
"id": "mp-1210645",
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"structure_string": "Na24 Zn12 P16 O76\n1.0\n12.005400 0.000000 0.000000\n0.000000 12.005400 0.000000\n0.000000 0.000000 12.005400\nNa Zn P O\n24 12 16 76\ndirect\n0.004795 0.246287 0.170180 Na\n0.495205 0.753713 0.670180 Na\n0.995205 0.746287 0.329820 Na\n0.170180 0.004795 0.246287 Na\n0.504795 0.253713 0.829820 Na\n0.670180 0.495205 0.753713 Na\n0.329820 0.995205 0.746287 Na\n0.829820 0.504795 0.253713 Na\n0.246287 0.170180 0.004795 Na\n0.746287 0.329820 0.995205 Na\n0.253713 0.829820 0.504795 Na\n0.753713 0.670180 0.495205 Na\n0.249001 0.423908 0.491207 Na\n0.250999 0.576092 0.991207 Na\n0.750999 0.923908 0.008793 Na\n0.491207 0.249001 0.423908 Na\n0.749001 0.076092 0.508793 Na\n0.991207 0.250999 0.576092 Na\n0.008793 0.750999 0.923908 Na\n0.508793 0.749001 0.076092 Na\n0.423908 0.491207 0.249001 Na\n0.923908 0.008793 0.750999 Na\n0.076092 0.508793 0.749001 Na\n0.576092 0.991207 0.250999 Na\n0.126069 0.504174 0.238365 Zn\n0.373931 0.495826 0.738365 Zn\n0.873931 0.004174 0.261635 Zn\n0.238365 0.126069 0.504174 Zn\n0.626069 0.995826 0.761635 Zn\n0.738365 0.373931 0.495826 Zn\n0.261635 0.873931 0.004174 Zn\n0.761635 0.626069 0.995826 Zn\n0.504174 0.238365 0.126069 Zn\n0.004174 0.261635 0.873931 Zn\n0.995826 0.761635 0.626069 Zn\n0.495826 0.738365 0.373931 Zn\n0.767405 0.767405 0.767405 P\n0.732595 0.232595 0.267405 P\n0.232595 0.267405 0.732595 P\n0.267405 0.732595 0.232595 P\n0.029007 0.029007 0.029007 P\n0.470993 0.970993 0.529007 P\n0.970993 0.529007 0.470993 P\n0.529007 0.470993 0.970993 P\n0.281116 0.281116 0.281116 P\n0.218884 0.718884 0.781116 P\n0.718884 0.781116 0.218884 P\n0.781116 0.218884 0.718884 P\n0.518008 0.518008 0.518008 P\n0.981992 0.481992 0.018008 P\n0.481992 0.018008 0.981992 P\n0.018008 0.981992 0.481992 P\n0.955494 0.955494 0.955494 O\n0.544506 0.044506 0.455494 O\n0.044506 0.455494 0.544506 O\n0.455494 0.544506 0.044506 O\n0.239709 0.404200 0.291269 O\n0.260291 0.595800 0.791269 O\n0.760291 0.904200 0.208731 O\n0.291269 0.239709 0.404200 O\n0.739709 0.095800 0.708731 O\n0.791269 0.260291 0.595800 O\n0.208731 0.760291 0.904200 O\n0.708731 0.739709 0.095800 O\n0.404200 0.291269 0.239709 O\n0.904200 0.208731 0.760291 O\n0.095800 0.708731 0.739709 O\n0.595800 0.791269 0.260291 O\n0.174508 0.200289 0.636594 O\n0.325492 0.799711 0.136594 O\n0.825492 0.700289 0.863406 O\n0.636594 0.174508 0.200289 O\n0.674508 0.299711 0.363406 O\n0.136594 0.325492 0.799711 O\n0.863406 0.825492 0.700289 O\n0.363406 0.674508 0.299711 O\n0.200289 0.636594 0.174508 O\n0.700289 0.863406 0.825492 O\n0.299711 0.363406 0.674508 O\n0.799711 0.136594 0.325492 O\n0.047823 0.427717 0.117043 O\n0.452177 0.572283 0.617043 O\n0.952177 0.927717 0.382957 O\n0.117043 0.047823 0.427717 O\n0.547823 0.072283 0.882957 O\n0.617043 0.452177 0.572283 O\n0.382957 0.952177 0.927717 O\n0.882957 0.547823 0.072283 O\n0.427717 0.117043 0.047823 O\n0.927717 0.382957 0.952177 O\n0.072283 0.882957 0.547823 O\n0.572283 0.617043 0.452177 O\n0.020923 0.551279 0.352505 O\n0.479077 0.448721 0.852505 O\n0.979077 0.051279 0.147495 O\n0.352505 0.020923 0.551279 O\n0.520923 0.948721 0.647495 O\n0.852505 0.479077 0.448721 O\n0.147495 0.979077 0.051279 O\n0.647495 0.520923 0.948721 O\n0.551279 0.352505 0.020923 O\n0.051279 0.147495 0.979077 O\n0.948721 0.647495 0.520923 O\n0.448721 0.852505 0.479077 O\n0.998576 0.240490 0.372972 O\n0.501424 0.759510 0.872972 O\n0.001424 0.740490 0.127028 O\n0.372972 0.998576 0.240490 O\n0.498576 0.259510 0.627028 O\n0.872972 0.501424 0.759510 O\n0.127028 0.001424 0.740490 O\n0.627028 0.498576 0.259510 O\n0.240490 0.372972 0.998576 O\n0.740490 0.127028 0.001424 O\n0.259510 0.627028 0.498576 O\n0.759510 0.872972 0.501424 O\n0.445430 0.445430 0.445430 O\n0.054570 0.554570 0.945430 O\n0.554570 0.945430 0.054570 O\n0.945430 0.054570 0.554570 O\n0.207800 0.207800 0.207800 O\n0.292200 0.792200 0.707800 O\n0.792200 0.707800 0.292200 O\n0.707800 0.292200 0.792200 O\n0.694148 0.694148 0.694148 O\n0.805852 0.305852 0.194148 O\n0.305852 0.194148 0.805852 O\n0.194148 0.805852 0.305852 O\n",
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"formula_full": "Na24 Zn12 P16 O76",
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{
"id": "mp-1097767",
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"structure_string": "H3 S1\n1.0\n2.809555 2.100335 0.000000\n-2.809555 2.100335 0.000000\n0.000000 2.075655 2.783756\nH S\n3 1\ndirect\n0.008262 0.649197 0.141342 H\n0.649197 0.008262 0.141342 H\n0.332215 0.332215 0.775619 H\n0.010316 0.010316 0.750496 S\n",
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{
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"structure_string": "K2 La2 Ge2 Se8\n1.0\n7.125784 0.000000 0.000000\n0.000000 6.999672 0.000000\n0.000000 2.787531 8.768728\nK La Ge Se\n2 2 2 8\ndirect\n0.491658 0.258039 0.936626 K\n0.991658 0.741961 0.063374 K\n0.502935 0.233104 0.445866 La\n0.002935 0.766896 0.554134 La\n0.470930 0.782590 0.317169 Ge\n0.970930 0.217410 0.682831 Ge\n0.917733 0.418322 0.425426 Se\n0.417733 0.581678 0.574574 Se\n0.744838 0.987419 0.283605 Se\n0.244838 0.012581 0.716395 Se\n0.727859 0.971074 0.730522 Se\n0.227859 0.028926 0.269478 Se\n0.467426 0.582063 0.153187 Se\n0.967426 0.417937 0.846813 Se\n",
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{
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"structure_string": "Na2 Ca18 Co2 P14 O56\n1.0\n12.812995 -5.226650 0.000000\n12.812995 5.226650 0.000000\n10.680951 0.000000 8.798182\nNa Ca Co P O\n2 18 2 14 56\ndirect\n0.688642 0.688642 0.688642 Na\n0.188642 0.188642 0.188642 Na\n0.162753 0.576303 0.564606 Ca\n0.064606 0.076303 0.662753 Ca\n0.440969 0.848580 0.409344 Ca\n0.076303 0.662753 0.064606 Ca\n0.909344 0.348580 0.940969 Ca\n0.949241 0.971749 0.559391 Ca\n0.576303 0.564606 0.162753 Ca\n0.471749 0.449241 0.059391 Ca\n0.662753 0.064606 0.076303 Ca\n0.059391 0.471749 0.449241 Ca\n0.348580 0.940969 0.909344 Ca\n0.449241 0.059391 0.471749 Ca\n0.848580 0.409344 0.440969 Ca\n0.564606 0.162753 0.576303 Ca\n0.559391 0.949241 0.971749 Ca\n0.409344 0.440969 0.848580 Ca\n0.940969 0.909344 0.348580 Ca\n0.971749 0.559391 0.949241 Ca\n0.002714 0.002714 0.002714 Co\n0.502714 0.502714 0.502714 Co\n0.725934 0.684431 0.188371 P\n0.188371 0.725934 0.684431 P\n0.274167 0.311116 0.825188 P\n0.311116 0.825188 0.274167 P\n0.768469 0.768469 0.768469 P\n0.825188 0.274167 0.311116 P\n0.688371 0.184431 0.225934 P\n0.184431 0.225934 0.688371 P\n0.268469 0.268469 0.268469 P\n0.684431 0.188371 0.725934 P\n0.225934 0.688371 0.184431 P\n0.774167 0.325188 0.811116 P\n0.325188 0.811116 0.774167 P\n0.811116 0.774167 0.325188 P\n0.673693 0.114331 0.689497 O\n0.589162 0.147253 0.899055 O\n0.380883 0.637063 0.849647 O\n0.865655 0.117230 0.138230 O\n0.337872 0.891869 0.612133 O\n0.891869 0.612133 0.337872 O\n0.089162 0.399055 0.647253 O\n0.379640 0.648850 0.373067 O\n0.899055 0.589162 0.147253 O\n0.638230 0.617230 0.365655 O\n0.399055 0.647253 0.089162 O\n0.189497 0.614331 0.173693 O\n0.837872 0.112133 0.391869 O\n0.417520 0.852446 0.756286 O\n0.612133 0.337872 0.891869 O\n0.365655 0.638230 0.617230 O\n0.637063 0.849647 0.380883 O\n0.392619 0.111275 0.260265 O\n0.349647 0.137063 0.880883 O\n0.614331 0.173693 0.189497 O\n0.756286 0.417520 0.852446 O\n0.689497 0.673693 0.114331 O\n0.630988 0.354216 0.172659 O\n0.130988 0.672659 0.854216 O\n0.648850 0.373067 0.379640 O\n0.147253 0.899055 0.589162 O\n0.148850 0.879640 0.873067 O\n0.611275 0.892619 0.760265 O\n0.137063 0.880883 0.349647 O\n0.760265 0.611275 0.892619 O\n0.138230 0.865655 0.117230 O\n0.917520 0.256286 0.352446 O\n0.647253 0.089162 0.399055 O\n0.172659 0.630988 0.354216 O\n0.854216 0.130988 0.672659 O\n0.809929 0.809929 0.809929 O\n0.617230 0.365655 0.638230 O\n0.114331 0.689497 0.673693 O\n0.879640 0.873067 0.148850 O\n0.117230 0.138230 0.865655 O\n0.260265 0.392619 0.111275 O\n0.892619 0.760265 0.611275 O\n0.112133 0.391869 0.837872 O\n0.880883 0.349647 0.137063 O\n0.672659 0.854216 0.130988 O\n0.354216 0.172659 0.630988 O\n0.873067 0.148850 0.879640 O\n0.173693 0.189497 0.614331 O\n0.352446 0.917520 0.256286 O\n0.111275 0.260265 0.392619 O\n0.852446 0.756286 0.417520 O\n0.849647 0.380883 0.637063 O\n0.256286 0.352446 0.917520 O\n0.391869 0.837872 0.112133 O\n0.309929 0.309929 0.309929 O\n0.373067 0.379640 0.648850 O\n",
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