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{
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{
"id": "mp-683652",
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"structure_string": "Mn4 In2 C20 I2 O20\n1.0\n9.159267 0.000000 0.000000\n-0.524684 10.041113 0.000000\n-0.447092 -4.834853 9.376017\nMn In C I O\n4 2 20 2 20\ndirect\n0.249184 0.718205 0.070027 Mn\n0.757110 0.755960 0.590559 Mn\n0.750816 0.281795 0.929973 Mn\n0.242890 0.244040 0.409441 Mn\n0.160353 0.999554 0.157226 In\n0.839647 0.000446 0.842774 In\n0.609174 0.215366 0.013697 C\n0.309787 0.400354 0.578244 C\n0.375527 0.786901 0.233660 C\n0.207748 0.107378 0.480498 C\n0.430406 0.181103 0.367747 C\n0.902895 0.296988 0.825326 C\n0.734522 0.647026 0.692603 C\n0.046479 0.286260 0.430704 C\n0.624473 0.213099 0.766340 C\n0.265478 0.352974 0.307397 C\n0.118033 0.671929 0.913318 C\n0.792252 0.892622 0.519502 C\n0.303998 0.527114 0.998479 C\n0.690213 0.599646 0.421756 C\n0.569594 0.818897 0.632253 C\n0.953521 0.713740 0.569296 C\n0.097105 0.703012 0.174674 C\n0.696002 0.472886 0.001521 C\n0.390826 0.784634 0.986303 C\n0.881967 0.328071 0.086682 C\n0.836310 0.952013 0.100523 I\n0.163690 0.047987 0.899477 I\n0.356275 0.501213 0.684592 O\n0.479523 0.822949 0.932350 O\n0.717038 0.573692 0.749723 O\n0.548336 0.145105 0.346068 O\n0.073598 0.684633 0.549636 O\n0.926402 0.315367 0.450364 O\n0.520477 0.177051 0.067650 O\n0.455001 0.825845 0.334574 O\n0.039144 0.637981 0.812929 O\n0.643725 0.498787 0.315408 O\n0.997248 0.306461 0.759296 O\n0.814149 0.977202 0.474955 O\n0.451664 0.854895 0.653932 O\n0.340620 0.406128 0.949136 O\n0.185851 0.022798 0.525045 O\n0.282962 0.426308 0.250277 O\n0.002752 0.693539 0.240704 O\n0.960856 0.362019 0.187071 O\n0.659380 0.593872 0.050864 O\n0.544999 0.174155 0.665426 O\n",
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"formula_full": "Mn4 In2 C20 I2 O20",
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"spacegroup": 2
},
{
"id": "mp-39823",
"created_at": "2022-09-04T14:41:46.515343Z",
"structure_string": "Na8 Al6 Si6 C1 O27\n1.0\n6.438112 -6.439767 0.000000\n6.438112 6.439767 0.000000\n-0.003311 0.000000 9.106035\nNa Al Si C O\n8 6 6 1 27\ndirect\n0.175964 0.176813 0.818794 Na\n0.818794 0.175964 0.176813 Na\n0.778641 0.227422 0.779035 Na\n0.299189 0.299189 0.299189 Na\n0.227422 0.779035 0.778641 Na\n0.779035 0.778641 0.227422 Na\n0.800409 0.800409 0.800409 Na\n0.176813 0.818794 0.175964 Na\n0.499746 0.002459 0.750245 Al\n0.498715 0.000357 0.251723 Al\n0.000357 0.251723 0.498715 Al\n0.251723 0.498715 0.000357 Al\n0.750245 0.499746 0.002459 Al\n0.002459 0.750245 0.499746 Al\n0.249606 0.002631 0.499150 Si\n0.751252 0.001512 0.500820 Si\n0.499150 0.249606 0.002631 Si\n0.001512 0.500820 0.751252 Si\n0.002631 0.499150 0.249606 Si\n0.500820 0.751252 0.001512 Si\n0.994289 0.994289 0.994289 C\n0.347339 0.056699 0.357667 O\n0.656106 0.048797 0.646453 O\n0.934851 0.111890 0.938268 O\n0.447479 0.151325 0.861319 O\n0.552181 0.151672 0.144021 O\n0.151672 0.144021 0.552181 O\n0.849877 0.142370 0.448420 O\n0.640154 0.349607 0.953167 O\n0.357667 0.347339 0.056699 O\n0.951799 0.360957 0.649951 O\n0.056699 0.357667 0.347339 O\n0.142370 0.448420 0.849877 O\n0.861319 0.447479 0.151325 O\n0.860169 0.550245 0.851446 O\n0.144021 0.552181 0.151672 O\n0.953167 0.640154 0.349607 O\n0.048797 0.646453 0.656106 O\n0.360957 0.649951 0.951799 O\n0.646453 0.656106 0.048797 O\n0.151325 0.861319 0.447479 O\n0.851446 0.860169 0.550245 O\n0.550245 0.851446 0.860169 O\n0.448420 0.849877 0.142370 O\n0.938268 0.934851 0.111890 O\n0.111890 0.938268 0.934851 O\n0.349607 0.953167 0.640154 O\n0.649951 0.951799 0.360957 O\n",
"nsites": 48,
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"density_atomic": 0.06357015123874689,
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"formula_full": "Na8 Al6 Si6 C1 O27",
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"spacegroup": 146
},
{
"id": "mp-28601",
"created_at": "2022-09-04T14:41:29.001877Z",
"structure_string": "Nb8 Br40\n1.0\n6.730692 0.000000 0.000000\n0.000000 14.160610 0.000000\n0.000000 0.000000 19.604459\nNb Br\n8 40\ndirect\n0.993433 0.124537 0.141243 Nb\n0.493433 0.375463 0.858757 Nb\n0.506567 0.624537 0.358757 Nb\n0.006567 0.875463 0.641243 Nb\n0.006567 0.875463 0.858757 Nb\n0.506567 0.624537 0.141243 Nb\n0.493433 0.375463 0.641243 Nb\n0.993433 0.124537 0.358757 Nb\n0.273087 0.703872 0.064491 Br\n0.773087 0.796128 0.935509 Br\n0.226913 0.203872 0.435509 Br\n0.726913 0.296128 0.564491 Br\n0.726913 0.296128 0.935509 Br\n0.226913 0.203872 0.064491 Br\n0.773087 0.796128 0.564491 Br\n0.273087 0.703872 0.435509 Br\n0.202715 0.195299 0.250000 Br\n0.702715 0.304701 0.750000 Br\n0.297285 0.695299 0.250000 Br\n0.797285 0.804701 0.750000 Br\n0.785614 0.052934 0.250000 Br\n0.285614 0.447066 0.750000 Br\n0.714386 0.552934 0.250000 Br\n0.214386 0.947066 0.750000 Br\n0.208532 0.981432 0.348005 Br\n0.708532 0.518568 0.651995 Br\n0.291468 0.481432 0.151995 Br\n0.791468 0.018568 0.848005 Br\n0.791468 0.018568 0.651995 Br\n0.291468 0.481432 0.348005 Br\n0.708532 0.518568 0.848005 Br\n0.208532 0.981432 0.151995 Br\n0.278448 0.232439 0.652702 Br\n0.778448 0.267561 0.347298 Br\n0.221552 0.732439 0.847298 Br\n0.721552 0.767561 0.152702 Br\n0.721552 0.767561 0.347298 Br\n0.221552 0.732439 0.652702 Br\n0.778448 0.267561 0.152702 Br\n0.278448 0.232439 0.847298 Br\n0.759584 0.045675 0.435576 Br\n0.259584 0.454325 0.564424 Br\n0.740416 0.545675 0.064424 Br\n0.240416 0.954325 0.935576 Br\n0.240416 0.954325 0.564424 Br\n0.740416 0.545675 0.435576 Br\n0.259584 0.454325 0.935576 Br\n0.759584 0.045675 0.064424 Br\n",
"nsites": 48,
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{
"id": "mp-5036",
"created_at": "2022-09-04T14:41:29.534821Z",
"structure_string": "Er8 P8 S32\n1.0\n-5.373665 5.373665 9.508333\n5.373665 -5.373665 9.508333\n5.373665 5.373665 -9.508333\nEr P S\n8 8 32\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.250000 0.500000 Er\n0.250000 0.750000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n0.750000 0.750000 0.000000 Er\n0.500000 0.000000 0.500000 Er\n0.000000 0.500000 0.500000 Er\n0.250000 0.250000 0.000000 Er\n0.125000 0.413038 0.788038 P\n0.125000 0.913038 0.288038 P\n0.663038 0.875000 0.288038 P\n0.586962 0.375000 0.711962 P\n0.625000 0.836962 0.711962 P\n0.625000 0.336962 0.211962 P\n0.086962 0.375000 0.211962 P\n0.163038 0.875000 0.788038 P\n0.485952 0.208072 0.450446 S\n0.757627 0.035507 0.549554 S\n0.785507 0.735952 0.777880 S\n0.958072 0.007627 0.222120 S\n0.492373 0.541928 0.777880 S\n0.764048 0.714493 0.222120 S\n0.291928 0.014048 0.549554 S\n0.464493 0.742373 0.450445 S\n0.279774 0.469802 0.318523 S\n0.219802 0.401279 0.690028 S\n0.711251 0.529774 0.309972 S\n0.970226 0.788749 0.690028 S\n0.098721 0.280198 0.309972 S\n0.538749 0.348721 0.318523 S\n0.030198 0.220226 0.681477 S\n0.151279 0.961251 0.681477 S\n0.470226 0.780198 0.181477 S\n0.530198 0.848721 0.809972 S\n0.038749 0.720226 0.190028 S\n0.779774 0.461251 0.809972 S\n0.651279 0.969802 0.190028 S\n0.211251 0.901279 0.181477 S\n0.719802 0.029774 0.818523 S\n0.598721 0.288749 0.818523 S\n0.992373 0.214493 0.950446 S\n0.964493 0.514048 0.722120 S\n0.791928 0.242373 0.277880 S\n0.257627 0.708072 0.722120 S\n0.985952 0.535507 0.277880 S\n0.458072 0.235952 0.950446 S\n0.285507 0.507627 0.049554 S\n0.264048 0.041928 0.049554 S\n",
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{
"id": "mp-697821",
"created_at": "2022-09-04T14:41:45.587387Z",
"structure_string": "Sm12 Fe12 As12 O10 F2\n1.0\n12.017389 0.000000 0.000000\n0.000000 8.031729 0.000000\n0.000000 4.003798 9.087692\nSm Fe As O F\n12 12 12 10 2\ndirect\n0.082660 0.310781 0.128142 Sm\n0.417340 0.310781 0.128142 Sm\n0.750000 0.320813 0.131830 Sm\n0.073841 0.807443 0.135265 Sm\n0.426159 0.807443 0.135265 Sm\n0.750000 0.795133 0.136414 Sm\n0.250000 0.679187 0.868170 Sm\n0.582660 0.689219 0.871858 Sm\n0.917340 0.689219 0.871858 Sm\n0.250000 0.204867 0.863586 Sm\n0.573841 0.192557 0.864735 Sm\n0.926159 0.192557 0.864735 Sm\n0.083003 0.370721 0.499829 Fe\n0.416997 0.370721 0.499829 Fe\n0.750000 0.373630 0.503839 Fe\n0.250000 0.626370 0.496161 Fe\n0.583003 0.629279 0.500171 Fe\n0.916997 0.629279 0.500171 Fe\n0.083001 0.879082 0.497930 Fe\n0.416999 0.879082 0.497930 Fe\n0.750000 0.873682 0.503144 Fe\n0.250000 0.126318 0.496856 Fe\n0.583001 0.120918 0.502070 Fe\n0.916999 0.120918 0.502070 Fe\n0.250000 0.469016 0.313769 As\n0.584561 0.465887 0.317856 As\n0.915439 0.465887 0.317856 As\n0.084561 0.534113 0.682144 As\n0.415439 0.534113 0.682144 As\n0.750000 0.530984 0.686231 As\n0.250000 0.967226 0.313014 As\n0.585597 0.969798 0.313223 As\n0.914403 0.969798 0.313223 As\n0.085597 0.030202 0.686777 As\n0.414403 0.030202 0.686777 As\n0.750000 0.032774 0.686986 As\n0.250000 0.375131 0.999138 O\n0.584827 0.371508 0.998276 O\n0.915173 0.371508 0.998276 O\n0.084827 0.628492 0.001724 O\n0.415173 0.628492 0.001724 O\n0.750000 0.624869 0.000862 O\n0.586986 0.878982 0.001697 O\n0.913014 0.878982 0.001697 O\n0.086986 0.121018 0.998303 O\n0.413014 0.121018 0.998303 O\n0.250000 0.874480 0.000921 F\n0.750000 0.125520 0.999079 F\n",
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{
"id": "mp-623924",
"created_at": "2022-09-04T14:41:29.575460Z",
"structure_string": "Mn4 C20 Cl4 O20\n1.0\n6.031254 0.000000 0.000000\n0.000000 11.629085 0.000000\n0.000000 0.000000 11.679731\nMn C Cl O\n4 20 4 20\ndirect\n0.949751 0.750000 0.877707 Mn\n0.449751 0.250000 0.622293 Mn\n0.050249 0.250000 0.122293 Mn\n0.550249 0.750000 0.377707 Mn\n0.426455 0.634811 0.281914 C\n0.312058 0.366783 0.534680 C\n0.187942 0.133217 0.034680 C\n0.692886 0.250000 0.528344 C\n0.687942 0.866783 0.465320 C\n0.426455 0.865189 0.281914 C\n0.926455 0.365189 0.218086 C\n0.926455 0.134811 0.218086 C\n0.192886 0.750000 0.971656 C\n0.073545 0.865189 0.781914 C\n0.573545 0.134811 0.718086 C\n0.807114 0.250000 0.028344 C\n0.187942 0.366783 0.034680 C\n0.073545 0.634811 0.781914 C\n0.812058 0.866783 0.965320 C\n0.687942 0.633217 0.465320 C\n0.307114 0.750000 0.471656 C\n0.812058 0.633217 0.965320 C\n0.312058 0.133217 0.534680 C\n0.573545 0.365189 0.718086 C\n0.870583 0.750000 0.254913 Cl\n0.129417 0.250000 0.745087 Cl\n0.629417 0.750000 0.754913 Cl\n0.370583 0.250000 0.245087 Cl\n0.146124 0.563445 0.724714 O\n0.734950 0.559106 0.017476 O\n0.265050 0.440894 0.982524 O\n0.345709 0.750000 0.031743 O\n0.853876 0.063445 0.275286 O\n0.654291 0.250000 0.968257 O\n0.234950 0.059106 0.482524 O\n0.765050 0.940894 0.517476 O\n0.146124 0.936555 0.724714 O\n0.265050 0.059106 0.982524 O\n0.234950 0.440894 0.482524 O\n0.765050 0.559106 0.517476 O\n0.353876 0.563445 0.224714 O\n0.646124 0.063445 0.775286 O\n0.853876 0.436555 0.275286 O\n0.845709 0.250000 0.468257 O\n0.154291 0.750000 0.531743 O\n0.646124 0.436555 0.775286 O\n0.734950 0.940894 0.017476 O\n0.353876 0.936555 0.224714 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": "Rb4 Sc4 P8 O32\n1.0\n9.167104 0.000000 0.000000\n0.000000 5.401200 0.000000\n0.000000 0.927006 15.366151\nRb Sc P O\n4 4 8 32\ndirect\n0.018531 0.734895 0.612085 Rb\n0.518531 0.265105 0.887915 Rb\n0.981469 0.265105 0.387915 Rb\n0.481469 0.734895 0.112085 Rb\n0.542195 0.739302 0.652959 Sc\n0.042195 0.260698 0.847041 Sc\n0.457805 0.260698 0.347041 Sc\n0.957805 0.739302 0.152959 Sc\n0.336348 0.266119 0.565584 P\n0.836348 0.733881 0.934416 P\n0.663652 0.733881 0.434416 P\n0.163652 0.266119 0.065584 P\n0.263446 0.778443 0.815830 P\n0.763446 0.221557 0.684170 P\n0.736554 0.221557 0.184170 P\n0.236554 0.778443 0.315830 P\n0.435024 0.059390 0.605723 O\n0.935024 0.940610 0.894277 O\n0.564976 0.940610 0.394277 O\n0.064976 0.059390 0.105723 O\n0.342158 0.265545 0.465165 O\n0.842158 0.734455 0.034835 O\n0.657842 0.734455 0.534835 O\n0.157842 0.265545 0.965165 O\n0.385314 0.523545 0.593105 O\n0.885314 0.476455 0.906895 O\n0.614686 0.476455 0.406895 O\n0.114686 0.523545 0.093105 O\n0.676602 0.779576 0.906846 O\n0.176602 0.220424 0.593154 O\n0.323398 0.220424 0.093154 O\n0.823398 0.779576 0.406846 O\n0.400753 0.728167 0.760427 O\n0.900753 0.271833 0.739573 O\n0.599247 0.271833 0.239573 O\n0.099247 0.728167 0.260427 O\n0.147488 0.582316 0.797605 O\n0.647488 0.417684 0.702395 O\n0.852512 0.417684 0.202395 O\n0.352512 0.582316 0.297605 O\n0.203772 0.041580 0.794212 O\n0.703772 0.958420 0.705788 O\n0.796228 0.958420 0.205788 O\n0.296228 0.041580 0.294212 O\n0.326027 0.756496 0.909588 O\n0.826027 0.243504 0.590412 O\n0.673973 0.243504 0.090412 O\n0.173973 0.756496 0.409588 O\n",
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{
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"structure_string": "Rb4 Ce12 Te32\n1.0\n13.081348 0.000000 0.000000\n0.000000 9.134384 0.000000\n0.000000 2.301128 13.987531\nRb Ce Te\n4 12 32\ndirect\n0.091640 0.243357 0.036606 Rb\n0.908360 0.756643 0.963394 Rb\n0.591640 0.256643 0.963394 Rb\n0.408360 0.743357 0.036606 Rb\n0.415527 0.403185 0.352795 Ce\n0.584473 0.596815 0.647205 Ce\n0.915527 0.096815 0.647205 Ce\n0.084473 0.903185 0.352795 Ce\n0.085302 0.420362 0.351413 Ce\n0.914698 0.579638 0.648587 Ce\n0.585302 0.079638 0.648587 Ce\n0.414698 0.920362 0.351413 Ce\n0.249223 0.084834 0.657738 Ce\n0.750777 0.915166 0.342262 Ce\n0.749223 0.415166 0.342262 Ce\n0.250777 0.584834 0.657738 Ce\n0.769673 0.207312 0.170847 Te\n0.230327 0.792688 0.829153 Te\n0.269673 0.292688 0.829153 Te\n0.730327 0.707312 0.170847 Te\n0.408168 0.206157 0.176936 Te\n0.591832 0.793843 0.823064 Te\n0.908168 0.293843 0.823064 Te\n0.091832 0.706157 0.176936 Te\n0.250714 0.455456 0.180298 Te\n0.749286 0.544544 0.819702 Te\n0.750714 0.044544 0.819702 Te\n0.249286 0.955456 0.180298 Te\n0.244590 0.144826 0.417473 Te\n0.755410 0.855174 0.582527 Te\n0.744590 0.355174 0.582527 Te\n0.255410 0.644826 0.417473 Te\n0.422505 0.351159 0.589197 Te\n0.577495 0.648841 0.410803 Te\n0.922505 0.148841 0.410803 Te\n0.077495 0.851159 0.589197 Te\n0.925350 0.963433 0.175501 Te\n0.074650 0.036567 0.824499 Te\n0.425350 0.536567 0.824499 Te\n0.574650 0.463433 0.175501 Te\n0.924699 0.449326 0.176387 Te\n0.075301 0.550674 0.823613 Te\n0.424699 0.050674 0.823613 Te\n0.575301 0.949326 0.176387 Te\n0.085264 0.354067 0.587661 Te\n0.914736 0.645933 0.412339 Te\n0.585264 0.145933 0.412339 Te\n0.414736 0.854067 0.587661 Te\n",
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}
]
}