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{
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"structure_string": "Cu14 H18 S8 N8\n1.0\n6.719389 0.000139 -1.244685\n-0.000199 8.192140 -0.000386\n-0.094369 -0.001213 10.493065\nCu H S N\n14 18 8 8\ndirect\n0.084705 0.398734 0.631137 Cu\n0.915216 0.898746 0.368838 Cu\n0.560204 0.615899 0.641282 Cu\n0.439613 0.115789 0.358699 Cu\n0.570723 0.138780 0.644040 Cu\n0.429263 0.638723 0.355841 Cu\n0.784584 0.547267 0.472530 Cu\n0.215198 0.047459 0.527518 Cu\n0.950175 0.896167 0.626582 Cu\n0.049798 0.396221 0.373438 Cu\n0.799480 0.218507 0.480414 Cu\n0.200569 0.718683 0.519469 Cu\n0.425193 0.376420 0.495599 Cu\n0.574777 0.876408 0.504354 Cu\n0.663510 0.877511 0.028440 H\n0.336704 0.377529 0.971632 H\n0.793154 0.292662 0.988790 H\n0.206831 0.792593 0.011243 H\n0.794855 0.644202 0.973886 H\n0.204992 0.144160 0.026029 H\n0.706149 0.974658 0.897366 H\n0.293874 0.474690 0.102671 H\n0.769437 0.413020 0.853677 H\n0.230534 0.912978 0.146376 H\n0.764861 0.112891 0.149726 H\n0.235175 0.612800 0.850306 H\n0.836780 0.542693 0.111922 H\n0.163693 0.042401 0.888090 H\n0.553098 0.124337 0.043117 H\n0.446866 0.624458 0.956974 H\n0.996229 0.418767 0.962332 H\n0.003795 0.918794 0.037661 H\n0.913122 0.151345 0.690933 S\n0.086868 0.651328 0.309008 S\n0.597973 0.376585 0.330117 S\n0.401964 0.876757 0.669829 S\n0.415834 0.377622 0.708413 S\n0.584110 0.877533 0.291536 S\n0.903845 0.635128 0.673606 S\n0.096020 0.135136 0.326385 S\n0.836750 0.407452 0.951076 N\n0.163275 0.907413 0.048961 N\n0.751123 0.965140 0.996621 N\n0.248963 0.465107 0.003410 N\n0.756160 0.540026 0.017560 N\n0.243997 0.039937 0.982530 N\n0.706196 0.120064 0.051606 N\n0.293769 0.620041 0.948432 N\n",
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{
"id": "mp-1196631",
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"structure_string": "Na8 S4 O36\n1.0\n7.579294 0.000000 0.000000\n0.000000 7.579294 0.000000\n0.000000 0.000000 12.107486\nNa S O\n8 4 36\ndirect\n0.722068 0.500000 0.750000 Na\n0.277932 0.500000 0.250000 Na\n0.500000 0.722068 0.500000 Na\n0.500000 0.277932 0.000000 Na\n0.000000 0.799514 0.000000 Na\n0.000000 0.200486 0.500000 Na\n0.200486 0.000000 0.750000 Na\n0.799514 0.000000 0.250000 Na\n0.654423 0.500000 0.250000 S\n0.345577 0.500000 0.750000 S\n0.500000 0.654423 0.000000 S\n0.500000 0.345577 0.500000 S\n0.323951 0.323951 0.625000 O\n0.676049 0.676049 0.125000 O\n0.676049 0.323951 0.375000 O\n0.323951 0.676049 0.875000 O\n0.074300 0.753426 0.242375 O\n0.925700 0.246574 0.742375 O\n0.246574 0.074300 0.992375 O\n0.753426 0.925700 0.492375 O\n0.925700 0.753426 0.757625 O\n0.074300 0.246574 0.257625 O\n0.753426 0.074300 0.007625 O\n0.246574 0.925700 0.507625 O\n0.010712 0.523425 0.550969 O\n0.989288 0.476575 0.050969 O\n0.476575 0.010712 0.300969 O\n0.523425 0.989288 0.800969 O\n0.989288 0.523425 0.449031 O\n0.010712 0.476575 0.949031 O\n0.523425 0.010712 0.699031 O\n0.476575 0.989288 0.199031 O\n0.633392 0.555015 0.934918 O\n0.366608 0.444985 0.434918 O\n0.444985 0.633392 0.684918 O\n0.555015 0.366608 0.184918 O\n0.366608 0.555015 0.065082 O\n0.633392 0.444985 0.565082 O\n0.555015 0.633392 0.315082 O\n0.444985 0.366608 0.815082 O\n0.859541 0.864946 0.419944 O\n0.140459 0.135054 0.919944 O\n0.135054 0.859541 0.169944 O\n0.864946 0.140459 0.669944 O\n0.140459 0.864946 0.580056 O\n0.859541 0.135054 0.080056 O\n0.864946 0.859541 0.830056 O\n0.135054 0.140459 0.330056 O\n",
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{
"id": "mp-758231",
"created_at": "2022-09-04T14:40:23.719383Z",
"structure_string": "Li2 Mn6 Al4 H12 O24\n1.0\n5.944542 0.000000 0.000000\n-1.465371 7.731977 0.000000\n-0.075617 -3.436619 9.520548\nLi Mn Al H O\n2 6 4 12 24\ndirect\n0.657936 0.156237 0.501046 Li\n0.342064 0.843763 0.498954 Li\n0.662365 0.168541 0.003817 Mn\n0.337635 0.831459 0.996183 Mn\n0.500000 0.500000 0.000000 Mn\n0.163474 0.169246 0.002495 Mn\n0.836526 0.830754 0.997505 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Al\n0.168260 0.161894 0.502037 Al\n0.000000 0.500000 0.500000 Al\n0.831740 0.838106 0.497963 Al\n0.746095 0.488791 0.703372 H\n0.608622 0.842737 0.290433 H\n0.745093 0.510256 0.287492 H\n0.391378 0.157263 0.709567 H\n0.592793 0.805373 0.703206 H\n0.407207 0.194627 0.296794 H\n0.254907 0.489744 0.712508 H\n0.077612 0.860402 0.291303 H\n0.253905 0.511209 0.296628 H\n0.922388 0.139598 0.708697 H\n0.061177 0.805952 0.698375 H\n0.938823 0.194048 0.301625 H\n0.596248 0.905381 0.896600 O\n0.761558 0.551143 0.896530 O\n0.738901 0.451562 0.600420 O\n0.614383 0.881546 0.392297 O\n0.705001 0.426800 0.111911 O\n0.765371 0.556768 0.392784 O\n0.385617 0.118454 0.607703 O\n0.427724 0.232905 0.901631 O\n0.584064 0.757094 0.600139 O\n0.415936 0.242906 0.399861 O\n0.572276 0.767095 0.098369 O\n0.403752 0.094619 0.103400 O\n0.294999 0.573200 0.888089 O\n0.234629 0.443232 0.607216 O\n0.098720 0.891941 0.896230 O\n0.261099 0.548438 0.399580 O\n0.238442 0.448857 0.103470 O\n0.082301 0.907862 0.394218 O\n0.920166 0.231007 0.900059 O\n0.917699 0.092138 0.605782 O\n0.044946 0.756107 0.595528 O\n0.955054 0.243893 0.404472 O\n0.901280 0.108059 0.103770 O\n0.079834 0.768993 0.099941 O\n",
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"formula_full": "Li2 Mn6 Al4 H12 O24",
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{
"id": "mp-778512",
"created_at": "2022-09-04T14:40:14.148333Z",
"structure_string": "Li8 Fe8 F32\n1.0\n7.634161 0.000000 0.000000\n0.000000 8.455457 0.000000\n0.000000 0.000000 9.847567\nLi Fe F\n8 8 32\ndirect\n0.109680 0.530895 0.243337 Li\n0.109680 0.969105 0.243337 Li\n0.609680 0.030895 0.256663 Li\n0.609680 0.469105 0.256663 Li\n0.390320 0.969105 0.743337 Li\n0.390320 0.530895 0.743337 Li\n0.890320 0.469105 0.756663 Li\n0.890320 0.030895 0.756663 Li\n0.359004 0.750000 0.031046 Fe\n0.778544 0.750000 0.092684 Fe\n0.278544 0.250000 0.407316 Fe\n0.859004 0.250000 0.468954 Fe\n0.140996 0.750000 0.531046 Fe\n0.721456 0.750000 0.592684 Fe\n0.221456 0.250000 0.907316 Fe\n0.640996 0.250000 0.968954 Fe\n0.204919 0.911132 0.073995 F\n0.204919 0.588868 0.073995 F\n0.558448 0.609078 0.093854 F\n0.558448 0.890922 0.093854 F\n0.136167 0.250000 0.079811 F\n0.637568 0.250000 0.159280 F\n0.863875 0.580214 0.198178 F\n0.863875 0.919786 0.198178 F\n0.363875 0.080214 0.301822 F\n0.363875 0.419786 0.301822 F\n0.137568 0.750000 0.340720 F\n0.636167 0.750000 0.420189 F\n0.058448 0.109078 0.406146 F\n0.058448 0.390922 0.406146 F\n0.704919 0.088868 0.426005 F\n0.704919 0.411132 0.426005 F\n0.295081 0.588868 0.573995 F\n0.295081 0.911132 0.573995 F\n0.941552 0.609078 0.593854 F\n0.941552 0.890922 0.593854 F\n0.363833 0.250000 0.579811 F\n0.862432 0.250000 0.659280 F\n0.636125 0.580214 0.698178 F\n0.636125 0.919786 0.698178 F\n0.136125 0.080214 0.801822 F\n0.136125 0.419786 0.801822 F\n0.362432 0.750000 0.840720 F\n0.863833 0.750000 0.920189 F\n0.441552 0.109078 0.906146 F\n0.441552 0.390922 0.906146 F\n0.795081 0.088868 0.926005 F\n0.795081 0.411132 0.926005 F\n",
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{
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"structure_string": "Fe6 As6 O36\n1.0\n-4.375641 -7.576911 0.000959\n-4.373977 7.575951 0.000000\n0.001310 0.000756 -10.101219\nFe As O\n6 6 36\ndirect\n0.333521 0.666733 0.807685 Fe\n0.333521 0.666788 0.307685 Fe\n0.666479 0.333267 0.192315 Fe\n0.666479 0.333212 0.692315 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.726553 0.727012 0.750113 As\n0.273447 0.000459 0.749887 As\n0.000000 0.273134 0.750000 As\n0.726553 0.999541 0.250113 As\n0.000000 0.726866 0.250000 As\n0.273447 0.272988 0.249887 As\n0.641592 0.177903 0.569536 O\n0.822054 0.463707 0.569474 O\n0.536262 0.358299 0.569559 O\n0.641592 0.463689 0.069536 O\n0.536262 0.177963 0.069559 O\n0.822054 0.358348 0.069474 O\n0.358408 0.822097 0.430464 O\n0.177946 0.536293 0.430526 O\n0.463738 0.641701 0.430441 O\n0.358408 0.536311 0.930464 O\n0.463738 0.822037 0.930441 O\n0.177946 0.641652 0.930526 O\n0.706276 0.529456 0.801209 O\n0.470185 0.176657 0.801158 O\n0.823115 0.293723 0.801173 O\n0.706276 0.176820 0.301209 O\n0.823115 0.529392 0.301173 O\n0.470185 0.293527 0.301158 O\n0.293724 0.470544 0.198791 O\n0.529815 0.823343 0.198842 O\n0.176885 0.706277 0.198827 O\n0.293724 0.823180 0.698791 O\n0.176885 0.470608 0.698827 O\n0.529815 0.706473 0.698842 O\n0.870178 0.792541 0.616475 O\n0.207642 0.077614 0.616472 O\n0.922524 0.130114 0.616540 O\n0.870178 0.077637 0.116475 O\n0.922524 0.792410 0.116540 O\n0.207642 0.130028 0.116472 O\n0.129822 0.207459 0.383525 O\n0.792358 0.922386 0.383528 O\n0.077476 0.869886 0.383460 O\n0.129822 0.922363 0.883525 O\n0.077476 0.207590 0.883460 O\n0.792358 0.869972 0.883528 O\n",
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{
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"structure_string": "Na24 Ti8 N16\n1.0\n9.735956 0.000000 0.000000\n6.490637 9.179147 0.000000\n-6.490637 4.589573 7.949375\nNa Ti N\n24 8 16\ndirect\n0.176736 0.076281 0.943701 Na\n0.823264 0.753016 0.556299 Na\n0.823264 0.423719 0.766966 Na\n0.176736 0.746984 0.733034 Na\n0.289334 0.766966 0.309315 Na\n0.710666 0.733034 0.019982 Na\n0.289334 0.943701 0.480018 Na\n0.710666 0.556299 0.190685 Na\n0.670703 0.019982 0.746984 Na\n0.670703 0.309315 0.423719 Na\n0.329297 0.190685 0.753016 Na\n0.329297 0.480018 0.076281 Na\n0.823264 0.923719 0.056299 Na\n0.176736 0.246984 0.443701 Na\n0.176736 0.576281 0.233034 Na\n0.823264 0.253016 0.266966 Na\n0.710666 0.233034 0.690685 Na\n0.289334 0.266966 0.980018 Na\n0.710666 0.056299 0.519982 Na\n0.289334 0.443701 0.809315 Na\n0.329297 0.980018 0.253016 Na\n0.329297 0.690685 0.576281 Na\n0.670703 0.809315 0.246984 Na\n0.670703 0.519982 0.923719 Na\n0.203411 0.000000 0.703411 Ti\n0.796589 0.703411 0.796589 Ti\n0.796589 0.500000 0.500000 Ti\n0.203411 0.796589 0.000000 Ti\n0.796589 0.000000 0.296589 Ti\n0.203411 0.296589 0.203411 Ti\n0.203411 0.500000 0.500000 Ti\n0.796589 0.203411 0.000000 Ti\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.500000 0.898466 0.750000 N\n0.500000 0.601534 0.250000 N\n0.000000 0.250000 0.648466 N\n0.000000 0.750000 0.851534 N\n0.703068 0.648466 0.601534 N\n0.296932 0.851534 0.898466 N\n0.500000 0.101534 0.250000 N\n0.500000 0.398466 0.750000 N\n0.000000 0.750000 0.351534 N\n0.000000 0.250000 0.148466 N\n0.296932 0.351534 0.398466 N\n0.703068 0.148466 0.101534 N\n",
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{
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