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{
"id": "mp-1203613",
"created_at": "2022-09-04T14:39:29.464892Z",
"structure_string": "Cs12 As4 Se16 O4\n1.0\n10.468106 0.000000 0.000000\n0.000000 10.550015 0.000000\n-10.245415 0.000000 12.117625\nCs As Se O\n12 4 16 4\ndirect\n0.836663 0.825745 0.749659 Cs\n0.836663 0.674255 0.249659 Cs\n0.163337 0.174255 0.250341 Cs\n0.163337 0.325745 0.750341 Cs\n0.259389 0.074732 0.544487 Cs\n0.259389 0.425268 0.044487 Cs\n0.740611 0.925268 0.455513 Cs\n0.740611 0.574732 0.955513 Cs\n0.641691 0.039087 0.957279 Cs\n0.641691 0.460913 0.457279 Cs\n0.358309 0.960913 0.042721 Cs\n0.358309 0.539087 0.542721 Cs\n0.259736 0.784171 0.733884 As\n0.259736 0.715829 0.233884 As\n0.740264 0.215829 0.266116 As\n0.740264 0.284171 0.766116 As\n0.482589 0.807902 0.735308 Se\n0.482589 0.692098 0.235308 Se\n0.517411 0.192098 0.264692 Se\n0.517411 0.307902 0.764692 Se\n0.158635 0.984152 0.732105 Se\n0.158635 0.515848 0.232105 Se\n0.841365 0.015848 0.267895 Se\n0.841365 0.484152 0.767895 Se\n0.051813 0.650595 0.593516 Se\n0.051813 0.849405 0.093516 Se\n0.948187 0.349405 0.406484 Se\n0.948187 0.150595 0.906484 Se\n0.365907 0.675034 0.906542 Se\n0.365907 0.824966 0.406542 Se\n0.634093 0.324966 0.093458 Se\n0.634093 0.175034 0.593458 Se\n0.557480 0.750410 0.012324 O\n0.557480 0.749590 0.512324 O\n0.442520 0.249590 0.987676 O\n0.442520 0.250410 0.487676 O\n",
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{
"id": "mp-1229239",
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"structure_string": "Bi4 Rh28 Pb8 O60\n1.0\n5.292739 -9.184939 0.000000\n5.292739 9.184939 0.000000\n0.000000 0.000000 13.409152\nBi Rh Pb O\n4 28 8 60\ndirect\n0.001238 0.288833 0.750000 Bi\n0.288833 0.001238 0.750000 Bi\n0.998762 0.711167 0.250000 Bi\n0.711167 0.998762 0.250000 Bi\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.831401 0.168599 0.000000 Rh\n0.337669 0.169376 0.999198 Rh\n0.830624 0.662331 0.000802 Rh\n0.169376 0.337669 0.999198 Rh\n0.662331 0.830624 0.000802 Rh\n0.168599 0.831401 0.000000 Rh\n0.168599 0.831401 0.500000 Rh\n0.662331 0.830624 0.499198 Rh\n0.169376 0.337669 0.500802 Rh\n0.830624 0.662331 0.499198 Rh\n0.337669 0.169376 0.500802 Rh\n0.831401 0.168599 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n0.333658 0.667013 0.853952 Rh\n0.667013 0.333658 0.853952 Rh\n0.666342 0.332987 0.146048 Rh\n0.332987 0.666342 0.146048 Rh\n0.666342 0.332987 0.353952 Rh\n0.332987 0.666342 0.353952 Rh\n0.333658 0.667013 0.646048 Rh\n0.667013 0.333658 0.646048 Rh\n0.731022 0.731022 0.750000 Pb\n0.268978 0.268978 0.250000 Pb\n0.398370 0.398370 0.750000 Pb\n0.996102 0.613912 0.750000 Pb\n0.613912 0.996102 0.750000 Pb\n0.601630 0.601630 0.250000 Pb\n0.003898 0.386088 0.250000 Pb\n0.386088 0.003898 0.250000 Pb\n0.999312 0.830837 0.925311 O\n0.830837 0.999312 0.925311 O\n0.168535 0.168535 0.923940 O\n0.000688 0.169163 0.074689 O\n0.169163 0.000688 0.074689 O\n0.831465 0.831465 0.076060 O\n0.000688 0.169163 0.425311 O\n0.169163 0.000688 0.425311 O\n0.831465 0.831465 0.423940 O\n0.999312 0.830837 0.574689 O\n0.830837 0.999312 0.574689 O\n0.168535 0.168535 0.576060 O\n0.158004 0.666397 0.917714 O\n0.508896 0.842210 0.916822 O\n0.335027 0.493233 0.916810 O\n0.842210 0.508896 0.916822 O\n0.493233 0.335027 0.916810 O\n0.666397 0.158004 0.917714 O\n0.841996 0.333603 0.082286 O\n0.491104 0.157790 0.083178 O\n0.664973 0.506767 0.083190 O\n0.157790 0.491104 0.083178 O\n0.506767 0.664973 0.083190 O\n0.333603 0.841996 0.082286 O\n0.841996 0.333603 0.417714 O\n0.491104 0.157790 0.416822 O\n0.664973 0.506767 0.416810 O\n0.157790 0.491104 0.416822 O\n0.506767 0.664973 0.416810 O\n0.333603 0.841996 0.417714 O\n0.158004 0.666397 0.582286 O\n0.508896 0.842210 0.583178 O\n0.335027 0.493233 0.583190 O\n0.842210 0.508896 0.583178 O\n0.493233 0.335027 0.583190 O\n0.666397 0.158004 0.582286 O\n0.999412 0.333493 0.920331 O\n0.333493 0.999412 0.920331 O\n0.667062 0.667062 0.924230 O\n0.000588 0.666507 0.079669 O\n0.666507 0.000588 0.079669 O\n0.332938 0.332938 0.075770 O\n0.000588 0.666507 0.420331 O\n0.666507 0.000588 0.420331 O\n0.332938 0.332938 0.424230 O\n0.999412 0.333493 0.579669 O\n0.333493 0.999412 0.579669 O\n0.667062 0.667062 0.575770 O\n0.478545 0.658000 0.750000 O\n0.170429 0.518644 0.750000 O\n0.346699 0.829225 0.750000 O\n0.518644 0.170429 0.750000 O\n0.829225 0.346699 0.750000 O\n0.658000 0.478545 0.750000 O\n0.521455 0.342000 0.250000 O\n0.829571 0.481356 0.250000 O\n0.653301 0.170775 0.250000 O\n0.481356 0.829571 0.250000 O\n0.170775 0.653301 0.250000 O\n0.342000 0.521455 0.250000 O\n",
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{
"id": "mp-1147593",
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"structure_string": "Li24 Zn12 P16 S64\n1.0\n9.271574 0.000000 0.000000\n0.014084 11.617927 0.000000\n0.011351 0.025133 23.197669\nLi Zn P S\n24 12 16 64\ndirect\n0.748254 0.000930 0.129734 Li\n0.250208 0.245559 0.246619 Li\n0.246093 0.259631 0.003928 Li\n0.252650 0.743045 0.008282 Li\n0.502756 0.501859 0.748633 Li\n0.500347 0.000050 0.749062 Li\n0.499778 0.500674 0.499650 Li\n0.504291 0.999278 0.500741 Li\n0.002114 0.251055 0.624641 Li\n0.001195 0.750576 0.624330 Li\n0.503646 0.503480 0.250064 Li\n0.500360 0.998208 0.251147 Li\n0.997960 0.248631 0.376906 Li\n0.003822 0.749503 0.375272 Li\n0.515308 0.498092 0.001858 Li\n0.501223 0.998719 0.997748 Li\n0.985464 0.251540 0.125717 Li\n0.997255 0.744480 0.126903 Li\n0.997832 0.251883 0.873695 Li\n0.996402 0.751575 0.872129 Li\n0.499710 0.748738 0.127408 Li\n0.508154 0.253225 0.124092 Li\n0.000446 0.997293 0.252509 Li\n0.984662 0.500564 0.999972 Li\n0.506601 0.750104 0.875107 Zn\n0.507228 0.250802 0.873299 Zn\n0.499408 0.749047 0.624107 Zn\n0.498864 0.249634 0.624641 Zn\n0.000801 0.500009 0.749982 Zn\n0.999208 0.999107 0.748724 Zn\n0.499934 0.751046 0.374034 Zn\n0.506670 0.247619 0.376032 Zn\n0.999399 0.499652 0.499503 Zn\n0.000077 0.999348 0.499850 Zn\n0.992210 0.501705 0.249264 Zn\n0.993532 0.002242 0.999687 Zn\n0.750031 0.750696 0.749344 P\n0.750698 0.250333 0.749293 P\n0.750061 0.749437 0.500039 P\n0.750629 0.250355 0.500667 P\n0.249863 0.500231 0.624952 P\n0.250085 0.000088 0.625085 P\n0.752842 0.754487 0.253380 P\n0.747031 0.253930 0.249020 P\n0.247530 0.499228 0.374317 P\n0.254188 0.006050 0.376108 P\n0.747967 0.750074 0.997064 P\n0.751555 0.241087 0.000648 P\n0.251369 0.502216 0.124813 P\n0.246252 0.998020 0.123438 P\n0.251594 0.495775 0.875352 P\n0.249676 0.998963 0.875144 P\n0.873398 0.650121 0.946378 S\n0.866411 0.136074 0.944590 S\n0.866684 0.639678 0.697940 S\n0.866895 0.139944 0.697377 S\n0.372258 0.390698 0.822519 S\n0.365858 0.889214 0.823740 S\n0.864983 0.638588 0.447924 S\n0.862893 0.137895 0.448684 S\n0.364450 0.388966 0.572948 S\n0.364633 0.889153 0.572931 S\n0.858724 0.639993 0.198860 S\n0.869200 0.142617 0.199449 S\n0.370740 0.387891 0.323173 S\n0.364414 0.892380 0.323829 S\n0.368805 0.393374 0.072238 S\n0.372439 0.895348 0.071328 S\n0.634926 0.353669 0.693858 S\n0.634211 0.853637 0.693666 S\n0.637618 0.355270 0.444970 S\n0.633599 0.852785 0.445027 S\n0.134207 0.103593 0.569818 S\n0.134962 0.603632 0.569189 S\n0.628687 0.356955 0.197505 S\n0.632749 0.855515 0.197808 S\n0.134609 0.108261 0.322015 S\n0.135033 0.602367 0.318362 S\n0.633057 0.347115 0.945838 S\n0.633288 0.859464 0.942726 S\n0.125690 0.108936 0.068690 S\n0.122865 0.601323 0.071781 S\n0.132387 0.101629 0.820453 S\n0.137620 0.601722 0.820351 S\n0.862079 0.863524 0.801347 S\n0.862807 0.362277 0.801745 S\n0.864369 0.861033 0.552132 S\n0.865879 0.361419 0.552530 S\n0.363733 0.611931 0.676997 S\n0.363723 0.111701 0.677326 S\n0.869924 0.856887 0.305292 S\n0.872150 0.357038 0.302149 S\n0.364474 0.609254 0.425732 S\n0.371801 0.112472 0.429529 S\n0.868179 0.860856 0.051552 S\n0.864605 0.350690 0.050519 S\n0.365664 0.604370 0.177418 S\n0.370931 0.105033 0.173790 S\n0.373065 0.607413 0.927479 S\n0.368000 0.111788 0.926354 S\n0.636629 0.645871 0.805092 S\n0.637835 0.144209 0.804756 S\n0.636498 0.644598 0.556073 S\n0.636377 0.146191 0.556587 S\n0.136156 0.395910 0.681010 S\n0.136921 0.894992 0.681050 S\n0.630231 0.647245 0.305428 S\n0.635182 0.146189 0.305193 S\n0.135590 0.394664 0.430596 S\n0.137348 0.900105 0.430560 S\n0.631568 0.651946 0.051810 S\n0.627320 0.137823 0.052616 S\n0.124314 0.394808 0.178108 S\n0.120780 0.899610 0.174124 S\n0.130244 0.395887 0.929249 S\n0.132093 0.894594 0.930957 S\n",
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{
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.842686 5.221610 0.000000\n-2.842686 5.221610 0.000000\n0.000000 1.247218 9.557270\nLi Mn Co O\n9 2 5 16\ndirect\n0.129124 0.129124 0.743052 Li\n0.374796 0.374796 0.260698 Li\n0.625204 0.625204 0.739302 Li\n0.623674 0.122816 0.747594 Li\n0.877184 0.376326 0.252406 Li\n0.122816 0.623674 0.747594 Li\n0.376326 0.877184 0.252406 Li\n0.870876 0.870876 0.256948 Li\n0.500000 0.500000 0.500000 Li\n0.750078 0.249922 0.000000 Mn\n0.249922 0.750078 0.000000 Mn\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.249729 0.249729 0.000751 Co\n0.750271 0.750271 0.999249 Co\n0.000000 0.000000 0.500000 Co\n0.947447 0.947447 0.879260 O\n0.199608 0.199608 0.382160 O\n0.448224 0.448224 0.878160 O\n0.448260 0.950430 0.884646 O\n0.685012 0.154547 0.399555 O\n0.950430 0.448260 0.884646 O\n0.154547 0.685012 0.399555 O\n0.696407 0.696407 0.390836 O\n0.303593 0.303593 0.609164 O\n0.551776 0.551776 0.121840 O\n0.800392 0.800392 0.617840 O\n0.845453 0.314988 0.600445 O\n0.049570 0.551740 0.115354 O\n0.314988 0.845453 0.600445 O\n0.551740 0.049570 0.115354 O\n0.052553 0.052553 0.120740 O\n",
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{
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"structure_string": "Cu4 Hg2 Ge2 S8\n1.0\n6.365430 0.000000 0.000000\n0.000000 6.584500 0.000000\n0.000000 0.000000 7.799343\nCu Hg Ge S\n4 2 2 8\ndirect\n0.022209 0.167462 0.250564 Cu\n0.522209 0.832538 0.249436 Cu\n0.022209 0.167462 0.749436 Cu\n0.522209 0.832538 0.750564 Cu\n0.526115 0.349859 0.000000 Hg\n0.026115 0.650141 0.500000 Hg\n0.017951 0.673644 0.000000 Ge\n0.517951 0.326356 0.500000 Ge\n0.383748 0.158083 0.729763 S\n0.883748 0.841917 0.229763 S\n0.383748 0.158083 0.270237 S\n0.931472 0.336829 0.000000 S\n0.431472 0.663171 0.500000 S\n0.874546 0.285927 0.500000 S\n0.374546 0.714073 0.000000 S\n0.883748 0.841917 0.770237 S\n",
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{
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{
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"formula_full": "Li4 P4 W16 O52",
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"updated_at": "2021-11-28T01:34:35.587000Z",
"spacegroup": 26
},
{
"id": "mp-699477",
"created_at": "2022-09-04T14:39:26.167902Z",
"structure_string": "Na4 H24 Ru4 N4 Cl16 O16\n1.0\n15.321118 0.000000 0.000000\n0.000000 8.324806 0.000000\n0.000000 6.534146 11.902289\nNa H Ru N Cl O\n4 24 4 4 16 16\ndirect\n0.101729 0.905225 0.884833 Na\n0.398271 0.905225 0.384833 Na\n0.898271 0.094775 0.115167 Na\n0.601729 0.094775 0.615167 Na\n0.310981 0.768191 0.719830 H\n0.189019 0.768191 0.219830 H\n0.689019 0.231809 0.280170 H\n0.810981 0.231809 0.780170 H\n0.699512 0.229153 0.902778 H\n0.800488 0.229153 0.402778 H\n0.300488 0.770847 0.097222 H\n0.199512 0.770847 0.597222 H\n0.703640 0.145324 0.895994 H\n0.796360 0.145324 0.395994 H\n0.296360 0.854676 0.104006 H\n0.203640 0.854676 0.604006 H\n0.965463 0.535836 0.793252 H\n0.534537 0.535836 0.293252 H\n0.034537 0.464164 0.206748 H\n0.465463 0.464164 0.706748 H\n0.746166 0.782609 0.784207 H\n0.753834 0.782609 0.284207 H\n0.253834 0.217391 0.215793 H\n0.246166 0.217391 0.715793 H\n0.500921 0.973751 0.983890 H\n0.999079 0.973751 0.483890 H\n0.499079 0.026249 0.016110 H\n0.000921 0.026249 0.516110 H\n0.886476 0.350829 0.701032 Ru\n0.613524 0.350829 0.201032 Ru\n0.113524 0.649171 0.298968 Ru\n0.386476 0.649171 0.798968 Ru\n0.968934 0.182487 0.697052 N\n0.531066 0.182487 0.197052 N\n0.031066 0.817513 0.302948 N\n0.468934 0.817513 0.802948 N\n0.937430 0.265694 0.892021 Cl\n0.562570 0.265694 0.392021 Cl\n0.062570 0.734306 0.107979 Cl\n0.437430 0.734306 0.607979 Cl\n0.765118 0.951861 0.717196 Cl\n0.734882 0.951861 0.217196 Cl\n0.234882 0.048139 0.282804 Cl\n0.265118 0.048139 0.782804 Cl\n0.796830 0.416732 0.550846 Cl\n0.703170 0.416732 0.050846 Cl\n0.203170 0.583268 0.449154 Cl\n0.296830 0.583268 0.949154 Cl\n0.959248 0.667532 0.687092 Cl\n0.540752 0.667532 0.187092 Cl\n0.040752 0.332468 0.312908 Cl\n0.459248 0.332468 0.812908 Cl\n0.149583 0.217953 0.915168 O\n0.350417 0.217953 0.415168 O\n0.850417 0.782047 0.084832 O\n0.649583 0.782047 0.584832 O\n0.013179 0.262776 0.608841 O\n0.486821 0.262776 0.108841 O\n0.986821 0.737224 0.391159 O\n0.513179 0.737224 0.891159 O\n0.125692 0.296664 0.968327 O\n0.374308 0.296664 0.468327 O\n0.874308 0.703336 0.031673 O\n0.625692 0.703336 0.531673 O\n0.515061 0.020854 0.272730 O\n0.984939 0.020854 0.772730 O\n0.484939 0.979146 0.727270 O\n0.015061 0.979146 0.227270 O\n",
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}
]
}