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{
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{
"id": "mp-684059",
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"structure_string": "Li2 Ti2 P10 O30\n1.0\n9.623925 0.000000 0.000000\n0.000000 5.250541 0.000000\n0.000000 4.107922 12.477003\nLi Ti P O\n2 2 10 30\ndirect\n0.583878 0.052605 0.570740 Li\n0.416122 0.052605 0.070740 Li\n0.992066 0.010114 0.992916 Ti\n0.007934 0.010114 0.492916 Ti\n0.016410 0.014735 0.744092 P\n0.813617 0.420482 0.085118 P\n0.485224 0.513239 0.862887 P\n0.186383 0.420482 0.585118 P\n0.983590 0.014735 0.244092 P\n0.485113 0.475257 0.645401 P\n0.820236 0.600031 0.407214 P\n0.179764 0.600031 0.907214 P\n0.514776 0.513239 0.362887 P\n0.514887 0.475257 0.145401 P\n0.938930 0.050667 0.839855 O\n0.584907 0.483876 0.254591 O\n0.415093 0.483876 0.754591 O\n0.121866 0.740615 0.985092 O\n0.888100 0.277320 0.200668 O\n0.594741 0.268603 0.659573 O\n0.115179 0.758416 0.789356 O\n0.597240 0.712416 0.841935 O\n0.405259 0.268603 0.159573 O\n0.866434 0.276300 0.007465 O\n0.500983 0.748301 0.570180 O\n0.133636 0.308184 0.935494 O\n0.853141 0.715668 0.053089 O\n0.499017 0.748301 0.070180 O\n0.402760 0.712416 0.341935 O\n0.339963 0.348393 0.604491 O\n0.884821 0.758416 0.289356 O\n0.111900 0.277320 0.700668 O\n0.058047 0.976084 0.148149 O\n0.335030 0.656689 0.896060 O\n0.878134 0.740615 0.485092 O\n0.146859 0.715668 0.553089 O\n0.660037 0.348393 0.104491 O\n0.061070 0.050667 0.339855 O\n0.941953 0.976084 0.648149 O\n0.512070 0.241481 0.441763 O\n0.487930 0.241481 0.941763 O\n0.664970 0.656689 0.396060 O\n0.133566 0.276300 0.507465 O\n0.866364 0.308184 0.435494 O\n",
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{
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"structure_string": "Al6 P6 O36\n1.0\n9.119377 0.000000 0.000000\n-0.990451 9.532508 0.000000\n-1.948511 -1.033975 9.422242\nAl P O\n6 6 36\ndirect\n0.301001 0.092191 0.881874 Al\n0.905979 0.325903 0.100112 Al\n0.160484 0.859181 0.358298 Al\n0.701344 0.886833 0.106564 Al\n0.102885 0.657705 0.890535 Al\n0.858926 0.119077 0.640682 Al\n0.354785 0.875838 0.114118 P\n0.107438 0.335863 0.865974 P\n0.946009 0.103260 0.328115 P\n0.660084 0.111677 0.886105 P\n0.909329 0.647376 0.119993 P\n0.057994 0.873159 0.662777 P\n0.208113 0.968633 0.731821 O\n0.257087 0.759753 0.005521 O\n0.982197 0.263381 0.743356 O\n0.737266 0.242904 0.989810 O\n0.807416 0.999092 0.252984 O\n0.037592 0.730509 0.230835 O\n0.346995 0.022245 0.052782 O\n0.253783 0.266493 0.874116 O\n0.055705 0.330311 0.009132 O\n0.956431 0.236136 0.250556 O\n0.089202 0.029049 0.321517 O\n0.308296 0.883490 0.256137 O\n0.700327 0.976944 0.956179 O\n0.765804 0.721410 0.105513 O\n0.950133 0.634993 0.972522 O\n0.045987 0.740057 0.738515 O\n0.920056 0.951117 0.670722 O\n0.717584 0.112005 0.747824 O\n0.489372 0.115645 0.852908 O\n0.519336 0.848564 0.134753 O\n0.875370 0.496857 0.160596 O\n0.146943 0.490284 0.840522 O\n0.055284 0.829165 0.504953 O\n0.935931 0.144815 0.481428 O\n0.272143 0.745029 0.477658 O\n0.307086 0.003126 0.498557 O\n0.657512 0.124716 0.488407 O\n0.630170 0.260074 0.481574 O\n0.113442 0.042208 0.959316 O\n0.563240 0.712624 0.808003 O\n0.639665 0.728889 0.718509 O\n0.216013 0.441750 0.484583 O\n0.473083 0.490761 0.094957 O\n0.454323 0.492194 0.217028 O\n0.512709 0.279848 0.394839 O\n0.300247 0.355566 0.526116 O\n",
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},
{
"id": "mp-771144",
"created_at": "2022-09-04T14:45:28.037590Z",
"structure_string": "Na12 Fe4 As4 C4 O28\n1.0\n0.044171 6.847098 5.305402\n0.045248 -6.850777 5.310526\n9.241075 -0.000755 0.112528\nNa Fe As C O\n12 4 4 4 28\ndirect\n0.506368 0.256334 0.079796 Na\n0.006387 0.756366 0.079832 Na\n0.493647 0.743620 0.920189 Na\n0.993628 0.243599 0.920189 Na\n0.125920 0.123373 0.256838 Na\n0.625814 0.623401 0.256934 Na\n0.373354 0.875935 0.256927 Na\n0.873390 0.375907 0.256965 Na\n0.626679 0.124222 0.743014 Na\n0.126654 0.624033 0.743050 Na\n0.874131 0.876570 0.743100 Na\n0.374048 0.376594 0.743111 Na\n0.266114 0.515980 0.344622 Fe\n0.733991 0.484056 0.655347 Fe\n0.766064 0.016017 0.344539 Fe\n0.233975 0.984077 0.655467 Fe\n0.474792 0.224707 0.415795 As\n0.975065 0.724878 0.415843 As\n0.524992 0.775254 0.584246 As\n0.025116 0.275235 0.584167 As\n0.736873 0.987027 0.055993 C\n0.236944 0.487103 0.056080 C\n0.263126 0.012935 0.943996 C\n0.763035 0.512835 0.943911 C\n0.271665 0.021591 0.083776 O\n0.771652 0.521601 0.083686 O\n0.728379 0.978405 0.916212 O\n0.228321 0.478346 0.916311 O\n0.847148 0.097270 0.116210 O\n0.347237 0.597417 0.116157 O\n0.152836 0.902681 0.883827 O\n0.652734 0.402551 0.883817 O\n0.635575 0.885837 0.138497 O\n0.135709 0.385921 0.138656 O\n0.364397 0.114112 0.861459 O\n0.864286 0.614014 0.861330 O\n0.312714 0.062744 0.440656 O\n0.813076 0.562833 0.440618 O\n0.687009 0.937290 0.559526 O\n0.187241 0.437147 0.559309 O\n0.455534 0.705810 0.418855 O\n0.955657 0.205706 0.418809 O\n0.544318 0.294386 0.581086 O\n0.044480 0.794293 0.581240 O\n0.417183 0.364285 0.307525 O\n0.917354 0.864504 0.307664 O\n0.614510 0.167475 0.307438 O\n0.114794 0.667806 0.307390 O\n0.385255 0.832316 0.692680 O\n0.885487 0.332479 0.692541 O\n0.582570 0.635454 0.692320 O\n0.082768 0.135666 0.692453 O\n",
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"elements": [
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"formula_full": "Na12 Fe4 As4 C4 O28",
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},
{
"id": "mp-26817",
"created_at": "2022-09-04T14:43:14.577588Z",
"structure_string": "Li4 V4 P8 O28\n1.0\n5.064722 0.000000 0.000000\n0.000000 8.462568 0.000000\n0.000000 6.006417 12.081912\nLi V P O\n4 4 8 28\ndirect\n0.231407 0.590886 0.797440 Li\n0.731407 0.409114 0.702560 Li\n0.268593 0.590886 0.297440 Li\n0.768593 0.409114 0.202560 Li\n0.263691 0.732186 0.530826 V\n0.763691 0.267814 0.969174 V\n0.236309 0.732186 0.030826 V\n0.736309 0.267814 0.469174 V\n0.744556 0.827398 0.645776 P\n0.267890 0.303831 0.116414 P\n0.244556 0.172602 0.854224 P\n0.232110 0.303831 0.616414 P\n0.767890 0.696169 0.383586 P\n0.755444 0.827398 0.145776 P\n0.732110 0.696169 0.883586 P\n0.255444 0.172602 0.354224 P\n0.463700 0.750961 0.658851 O\n0.949402 0.694206 0.641681 O\n0.844609 0.527157 0.882009 O\n0.566663 0.316287 0.094256 O\n0.207119 0.154441 0.240797 O\n0.114196 0.244872 0.042981 O\n0.217028 0.987917 0.444170 O\n0.344609 0.472843 0.617991 O\n0.449402 0.305794 0.858319 O\n0.963700 0.249039 0.841149 O\n0.717028 0.012083 0.055830 O\n0.933337 0.316287 0.594256 O\n0.614196 0.755128 0.457019 O\n0.707119 0.845559 0.259203 O\n0.292881 0.154441 0.740797 O\n0.385804 0.244872 0.542981 O\n0.066663 0.683713 0.405744 O\n0.282972 0.987917 0.944170 O\n0.036300 0.750961 0.158851 O\n0.550598 0.694206 0.141681 O\n0.655391 0.527157 0.382009 O\n0.782972 0.012083 0.555830 O\n0.885804 0.755128 0.957019 O\n0.792881 0.845559 0.759203 O\n0.433337 0.683713 0.905744 O\n0.155391 0.472843 0.117991 O\n0.050598 0.305794 0.358319 O\n0.536300 0.249039 0.341149 O\n",
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{
"id": "mp-23515",
"created_at": "2022-09-04T14:46:53.532003Z",
"structure_string": "K24 Co12 Cl48\n1.0\n7.363199 0.000000 0.000000\n0.000000 12.540302 0.000000\n0.000000 0.000000 27.232242\nK Co Cl\n24 12 48\ndirect\n0.212962 0.921384 0.044633 K\n0.712962 0.078616 0.955367 K\n0.212962 0.578616 0.544633 K\n0.712962 0.421384 0.455367 K\n0.230800 0.915767 0.381625 K\n0.730800 0.084233 0.618375 K\n0.230800 0.584233 0.881625 K\n0.730800 0.415767 0.118375 K\n0.277597 0.920125 0.711285 K\n0.777597 0.079875 0.288715 K\n0.277597 0.579875 0.211285 K\n0.777597 0.420125 0.788715 K\n0.202619 0.314251 0.999695 K\n0.702619 0.685749 0.000305 K\n0.202619 0.185749 0.499695 K\n0.702619 0.814251 0.500305 K\n0.279728 0.313655 0.332768 K\n0.779728 0.686345 0.667232 K\n0.279728 0.186345 0.832768 K\n0.779728 0.813655 0.167232 K\n0.267461 0.317026 0.667515 K\n0.767461 0.682974 0.332485 K\n0.267461 0.182974 0.167515 K\n0.767461 0.817026 0.832485 K\n0.248626 0.582211 0.072987 Co\n0.748626 0.417789 0.927013 Co\n0.248626 0.917789 0.572987 Co\n0.748626 0.082211 0.427013 Co\n0.219477 0.583379 0.405452 Co\n0.719477 0.416621 0.594548 Co\n0.219477 0.916621 0.905452 Co\n0.719477 0.083379 0.094548 Co\n0.262995 0.584739 0.741678 Co\n0.762995 0.415261 0.258322 Co\n0.262995 0.915261 0.241678 Co\n0.762995 0.084739 0.758322 Co\n0.324453 0.556666 0.993975 Cl\n0.824453 0.443334 0.006025 Cl\n0.324453 0.943334 0.493975 Cl\n0.824453 0.056666 0.506025 Cl\n0.183057 0.561153 0.324601 Cl\n0.683057 0.438847 0.675399 Cl\n0.183057 0.938847 0.824601 Cl\n0.683057 0.061153 0.175399 Cl\n0.189308 0.566051 0.662116 Cl\n0.689308 0.433949 0.337884 Cl\n0.189308 0.933949 0.162116 Cl\n0.689308 0.066051 0.837884 Cl\n0.171183 0.429571 0.112494 Cl\n0.671183 0.570429 0.887506 Cl\n0.171183 0.070429 0.612494 Cl\n0.671183 0.929571 0.387506 Cl\n0.170104 0.427055 0.445602 Cl\n0.670104 0.572945 0.554398 Cl\n0.170104 0.072945 0.945602 Cl\n0.670104 0.927055 0.054398 Cl\n0.339892 0.430242 0.780023 Cl\n0.839892 0.569758 0.219977 Cl\n0.339892 0.069758 0.280023 Cl\n0.839892 0.930242 0.719977 Cl\n0.025784 0.703881 0.081088 Cl\n0.525784 0.296119 0.918912 Cl\n0.025784 0.796119 0.581088 Cl\n0.525784 0.203881 0.418912 Cl\n0.012486 0.703314 0.432094 Cl\n0.512486 0.296686 0.567906 Cl\n0.012486 0.796686 0.932094 Cl\n0.512486 0.203314 0.067906 Cl\n0.001967 0.636919 0.779508 Cl\n0.501967 0.363081 0.220492 Cl\n0.001967 0.863081 0.279508 Cl\n0.501967 0.136919 0.720492 Cl\n0.506507 0.639343 0.111053 Cl\n0.006507 0.360657 0.888947 Cl\n0.506507 0.860657 0.611053 Cl\n0.006507 0.139343 0.388947 Cl\n0.495686 0.643572 0.427685 Cl\n0.995686 0.356428 0.572315 Cl\n0.495686 0.856428 0.927685 Cl\n0.995686 0.143572 0.072315 Cl\n0.479806 0.709240 0.753059 Cl\n0.979806 0.290760 0.246941 Cl\n0.479806 0.790760 0.253059 Cl\n0.979806 0.209240 0.746941 Cl\n",
"nsites": 84,
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"volume": 2514.536425917414,
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{
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"structure_string": "Tb8 Re12 Si20\n1.0\n10.991218 0.000000 0.000000\n0.000000 10.991218 0.000000\n0.000000 0.000000 5.574841\nTb Re Si\n8 12 20\ndirect\n0.576893 0.737674 0.500000 Tb\n0.423107 0.262326 0.500000 Tb\n0.076893 0.762326 0.000000 Tb\n0.923107 0.237674 0.000000 Tb\n0.262326 0.576893 0.500000 Tb\n0.737674 0.423107 0.500000 Tb\n0.237674 0.076893 0.000000 Tb\n0.762326 0.923107 0.000000 Tb\n0.875583 0.853054 0.500000 Re\n0.124417 0.146946 0.500000 Re\n0.375583 0.646946 0.000000 Re\n0.624417 0.353054 0.000000 Re\n0.146946 0.875583 0.500000 Re\n0.853054 0.124417 0.500000 Re\n0.353054 0.375583 0.000000 Re\n0.646946 0.624417 0.000000 Re\n0.500000 0.000000 0.250000 Re\n0.000000 0.500000 0.750000 Re\n0.000000 0.500000 0.250000 Re\n0.500000 0.000000 0.750000 Re\n0.672981 0.172981 0.250000 Si\n0.327019 0.827019 0.250000 Si\n0.172981 0.327019 0.750000 Si\n0.827019 0.672981 0.750000 Si\n0.827019 0.672981 0.250000 Si\n0.172981 0.327019 0.250000 Si\n0.672981 0.172981 0.750000 Si\n0.327019 0.827019 0.750000 Si\n0.500000 0.500000 0.253400 Si\n0.000000 0.000000 0.753400 Si\n0.500000 0.500000 0.746600 Si\n0.000000 0.000000 0.246600 Si\n0.684962 0.973300 0.500000 Si\n0.315038 0.026700 0.500000 Si\n0.184962 0.526700 0.000000 Si\n0.815038 0.473300 0.000000 Si\n0.026700 0.684962 0.500000 Si\n0.973300 0.315038 0.500000 Si\n0.473300 0.184962 0.000000 Si\n0.526700 0.815038 0.000000 Si\n",
"nsites": 40,
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