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{
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"structure_string": "Ba1 Sr1 Li1 Nd1 Tl1 Cu2 O7\n1.0\n3.785878 0.000000 0.000000\n0.000000 3.935654 -0.075261\n0.000000 -0.171118 14.580811\nBa Sr Li Nd Tl Cu O\n1 1 1 1 1 2 7\ndirect\n0.500000 0.509943 0.870068 Ba\n0.500000 0.496284 0.229806 Sr\n0.500000 0.994568 0.717437 Li\n0.500000 0.521947 0.482419 Nd\n0.000000 0.008519 0.052499 Tl\n0.000000 0.039372 0.598050 Cu\n0.000000 0.007748 0.354467 Cu\n0.500000 0.034457 0.588840 O\n0.000000 0.536223 0.580933 O\n0.500000 0.009822 0.378942 O\n0.000000 0.508556 0.365462 O\n0.000000 0.028756 0.804852 O\n0.000000 0.987271 0.204862 O\n0.500000 0.414203 0.042197 O\n",
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{
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"structure_string": "As4 C16 S16 N16 Cl8 O8 F20\n1.0\n11.245732 0.000000 0.000000\n0.000000 12.016668 0.000000\n0.000000 7.453555 12.162174\nAs C S N Cl O F\n4 16 16 16 8 8 20\ndirect\n0.748442 0.445245 0.309242 As\n0.751558 0.445245 0.809242 As\n0.251558 0.554755 0.690758 As\n0.248442 0.554755 0.190758 As\n0.434539 0.733572 0.207521 C\n0.391596 0.115237 0.672608 C\n0.987349 0.239411 0.214152 C\n0.193601 0.009892 0.204097 C\n0.693601 0.990108 0.295903 C\n0.565461 0.266428 0.792479 C\n0.891596 0.884763 0.827392 C\n0.512651 0.239411 0.714152 C\n0.108404 0.115237 0.172608 C\n0.306399 0.009892 0.704097 C\n0.012651 0.760589 0.785848 C\n0.608404 0.884763 0.327392 C\n0.487349 0.760589 0.285848 C\n0.065461 0.733572 0.707521 C\n0.806399 0.990108 0.795903 C\n0.934539 0.266428 0.292479 C\n0.686057 0.925242 0.492451 S\n0.813943 0.925242 0.992451 S\n0.351826 0.577410 0.391356 S\n0.426406 0.195008 0.532090 S\n0.926406 0.804992 0.967910 S\n0.039664 0.297071 0.647763 S\n0.148174 0.577410 0.891356 S\n0.073594 0.195008 0.032090 S\n0.573594 0.804992 0.467910 S\n0.460336 0.297071 0.147763 S\n0.313943 0.074758 0.507549 S\n0.648174 0.422590 0.608644 S\n0.186057 0.074758 0.007549 S\n0.539664 0.702929 0.852237 S\n0.960336 0.702929 0.352237 S\n0.851826 0.422590 0.108644 S\n0.857712 0.365433 0.244896 N\n0.235004 0.983945 0.132542 N\n0.934124 0.858539 0.755622 N\n0.735004 0.016055 0.367458 N\n0.565876 0.858539 0.255622 N\n0.434124 0.141461 0.744378 N\n0.052447 0.678901 0.888505 N\n0.065876 0.141461 0.244378 N\n0.947553 0.321099 0.111495 N\n0.552447 0.321099 0.611495 N\n0.357712 0.634567 0.255104 N\n0.642288 0.365433 0.744896 N\n0.447553 0.678901 0.388505 N\n0.764996 0.016055 0.867458 N\n0.142288 0.634567 0.755104 N\n0.264996 0.983945 0.632542 N\n0.762198 0.082131 0.661632 Cl\n0.966550 0.180368 0.426947 Cl\n0.737802 0.082131 0.161632 Cl\n0.237802 0.917869 0.338368 Cl\n0.466550 0.819632 0.073053 Cl\n0.033450 0.819632 0.573053 Cl\n0.533450 0.180368 0.926947 Cl\n0.262198 0.917869 0.838368 Cl\n0.526202 0.814444 0.741349 O\n0.863308 0.705082 0.418215 O\n0.026202 0.185556 0.758651 O\n0.363308 0.294918 0.081785 O\n0.973798 0.814444 0.241349 O\n0.136692 0.294918 0.581785 O\n0.636692 0.705082 0.918215 O\n0.473798 0.185556 0.258651 O\n0.805400 0.286929 0.901136 F\n0.305400 0.713071 0.598864 F\n0.644424 0.465443 0.208688 F\n0.310957 0.401413 0.287218 F\n0.194600 0.713071 0.098864 F\n0.360710 0.575426 0.096453 F\n0.855576 0.465443 0.708688 F\n0.651348 0.515389 0.360861 F\n0.689043 0.598587 0.712782 F\n0.189043 0.401413 0.787218 F\n0.694600 0.286929 0.401136 F\n0.139290 0.575426 0.596453 F\n0.860710 0.424574 0.403547 F\n0.639290 0.424574 0.903547 F\n0.348652 0.484611 0.639139 F\n0.151348 0.484611 0.139139 F\n0.810957 0.598587 0.212782 F\n0.848652 0.515389 0.860861 F\n0.355576 0.534557 0.791312 F\n0.144424 0.534557 0.291312 F\n",
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},
{
"id": "mp-698303",
"created_at": "2022-09-04T14:48:10.644964Z",
"structure_string": "Mn2 P4 H72 C24 N12 Cl4 O4\n1.0\n4.173486 11.955883 0.000000\n-4.173486 11.955883 0.000000\n0.000000 9.796676 12.744268\nMn P H C N Cl O\n2 4 72 24 12 4 4\ndirect\n0.699443 0.300557 0.750000 Mn\n0.300557 0.699443 0.250000 Mn\n0.336084 0.462926 0.955848 P\n0.537074 0.663916 0.544152 P\n0.663916 0.537074 0.044152 P\n0.462926 0.336084 0.455848 P\n0.212135 0.849858 0.916887 H\n0.150142 0.787865 0.583113 H\n0.787865 0.150142 0.083113 H\n0.849858 0.212135 0.416887 H\n0.415182 0.628358 0.932835 H\n0.371642 0.584818 0.567165 H\n0.584818 0.371642 0.067165 H\n0.628358 0.415182 0.432835 H\n0.242944 0.710963 0.045751 H\n0.289037 0.757056 0.454249 H\n0.757056 0.289037 0.954249 H\n0.710963 0.242944 0.545751 H\n0.960694 0.787544 0.075440 H\n0.212456 0.039306 0.424560 H\n0.039306 0.212456 0.924560 H\n0.787544 0.960694 0.575440 H\n0.966174 0.756974 0.976523 H\n0.243026 0.033826 0.523477 H\n0.033826 0.243026 0.023477 H\n0.756974 0.966174 0.476523 H\n0.962115 0.919843 0.944458 H\n0.080157 0.037885 0.555542 H\n0.037885 0.080157 0.055542 H\n0.919843 0.962115 0.444458 H\n0.298236 0.501916 0.759794 H\n0.498084 0.701764 0.740206 H\n0.701764 0.498084 0.240206 H\n0.501916 0.298236 0.259794 H\n0.171282 0.692599 0.795294 H\n0.307401 0.828718 0.704706 H\n0.828718 0.307401 0.204706 H\n0.692599 0.171282 0.295294 H\n0.067850 0.630378 0.820123 H\n0.369622 0.932150 0.679877 H\n0.932150 0.369622 0.179877 H\n0.630378 0.067850 0.320123 H\n0.140067 0.361946 0.952302 H\n0.638054 0.859933 0.547698 H\n0.859933 0.638054 0.047698 H\n0.361946 0.140067 0.452302 H\n0.260952 0.251584 0.039785 H\n0.748416 0.739048 0.460215 H\n0.739048 0.748416 0.960215 H\n0.251584 0.260952 0.539785 H\n0.373193 0.224953 0.908559 H\n0.775047 0.626807 0.591441 H\n0.626807 0.775047 0.091441 H\n0.224953 0.373193 0.408559 H\n0.181395 0.311389 0.193609 H\n0.688611 0.818605 0.306391 H\n0.818605 0.688611 0.806391 H\n0.311389 0.181395 0.693609 H\n0.128372 0.509437 0.157772 H\n0.490563 0.871628 0.342228 H\n0.871628 0.490563 0.842228 H\n0.509437 0.128372 0.657772 H\n0.286475 0.314552 0.231614 H\n0.685448 0.713525 0.268386 H\n0.713525 0.685448 0.768386 H\n0.314552 0.286475 0.731614 H\n0.587858 0.089227 0.140591 H\n0.910773 0.412142 0.359409 H\n0.412142 0.910773 0.859409 H\n0.089227 0.587858 0.640591 H\n0.627439 0.112922 0.007311 H\n0.887078 0.372561 0.492689 H\n0.372561 0.887078 0.992689 H\n0.112922 0.627439 0.507311 H\n0.498046 0.059686 0.109881 H\n0.940314 0.501954 0.390119 H\n0.501954 0.940314 0.890119 H\n0.059686 0.498046 0.609881 H\n0.273134 0.714970 0.965047 C\n0.285030 0.726866 0.534953 C\n0.726866 0.285030 0.034953 C\n0.714970 0.273134 0.465047 C\n0.013094 0.787392 0.991813 C\n0.212608 0.986906 0.508187 C\n0.986906 0.212608 0.008187 C\n0.787392 0.013094 0.491813 C\n0.189216 0.579866 0.818796 C\n0.420134 0.810784 0.681204 C\n0.810784 0.420134 0.181204 C\n0.579866 0.189216 0.318796 C\n0.252654 0.318930 0.957760 C\n0.681070 0.747346 0.542240 C\n0.747346 0.681070 0.042240 C\n0.318930 0.252654 0.457760 C\n0.235000 0.367051 0.168205 C\n0.632949 0.765000 0.331795 C\n0.765000 0.632949 0.831795 C\n0.367051 0.235000 0.668205 C\n0.530157 0.136171 0.082805 C\n0.863829 0.469843 0.417195 C\n0.469843 0.863829 0.917195 C\n0.136171 0.530157 0.582805 C\n0.204081 0.664138 0.961752 N\n0.335862 0.795919 0.538248 N\n0.795919 0.335862 0.038248 N\n0.664138 0.204081 0.461752 N\n0.223717 0.473809 0.923529 N\n0.526191 0.776283 0.576471 N\n0.776283 0.526191 0.076471 N\n0.473809 0.223717 0.423529 N\n0.374372 0.323269 0.072215 N\n0.676731 0.625628 0.427785 N\n0.625628 0.676731 0.927785 N\n0.323269 0.374372 0.572215 N\n0.934759 0.254271 0.728135 Cl\n0.745729 0.065241 0.771865 Cl\n0.065241 0.745729 0.271865 Cl\n0.254271 0.934759 0.228135 Cl\n0.510696 0.404182 0.879988 O\n0.595818 0.489304 0.620012 O\n0.489304 0.595818 0.120012 O\n0.404182 0.510696 0.379988 O\n",
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},
{
"id": "mp-1200682",
"created_at": "2022-09-04T14:39:17.011281Z",
"structure_string": "Ag4 H72 C16 S16 Br4 N32 O4\n1.0\n6.538792 0.000000 0.000000\n0.000000 11.659426 0.000000\n-2.972060 0.000000 25.383312\nAg H C S Br N O\n4 72 16 16 4 32 4\ndirect\n0.621471 0.119981 0.991074 Ag\n0.378529 0.619981 0.508926 Ag\n0.378529 0.880019 0.008926 Ag\n0.621471 0.380020 0.491074 Ag\n0.059630 0.138581 0.870296 H\n0.940370 0.638581 0.629704 H\n0.940370 0.861419 0.129704 H\n0.059630 0.361419 0.370296 H\n0.263002 0.176152 0.919758 H\n0.736998 0.676152 0.580242 H\n0.736998 0.823848 0.080242 H\n0.263002 0.323848 0.419758 H\n0.062774 0.977501 0.824303 H\n0.937226 0.477501 0.675697 H\n0.937226 0.022499 0.175697 H\n0.062774 0.522499 0.324303 H\n0.265838 0.876793 0.836778 H\n0.734162 0.376793 0.663222 H\n0.734162 0.123207 0.163222 H\n0.265838 0.623207 0.336778 H\n0.887041 0.406821 0.910970 H\n0.112959 0.906821 0.589030 H\n0.112959 0.593179 0.089030 H\n0.887041 0.093179 0.410970 H\n0.875236 0.325246 0.968360 H\n0.124764 0.825246 0.531640 H\n0.124764 0.674754 0.031640 H\n0.875236 0.174754 0.468360 H\n0.598304 0.469524 0.861926 H\n0.401696 0.969524 0.638074 H\n0.401696 0.530476 0.138074 H\n0.598304 0.030476 0.361926 H\n0.355294 0.434825 0.879512 H\n0.644706 0.934825 0.620488 H\n0.644706 0.565175 0.120488 H\n0.355294 0.065175 0.379512 H\n0.186162 0.332463 0.134307 H\n0.813838 0.832463 0.365693 H\n0.813838 0.667537 0.865693 H\n0.186162 0.167537 0.634307 H\n0.294501 0.218756 0.101963 H\n0.705499 0.718756 0.398037 H\n0.705499 0.781244 0.898037 H\n0.294501 0.281244 0.601963 H\n0.851062 0.382212 0.110308 H\n0.148938 0.882212 0.389692 H\n0.148938 0.617788 0.889692 H\n0.851062 0.117788 0.610308 H\n0.703937 0.316555 0.055924 H\n0.296063 0.816555 0.444076 H\n0.296063 0.683445 0.944076 H\n0.703937 0.183445 0.555924 H\n0.330426 0.436710 0.770871 H\n0.669574 0.936710 0.729129 H\n0.669574 0.563290 0.229129 H\n0.330426 0.063290 0.270871 H\n0.580007 0.418558 0.753818 H\n0.419993 0.918558 0.746182 H\n0.419993 0.581442 0.246182 H\n0.580007 0.081442 0.253818 H\n0.104846 0.286015 0.764247 H\n0.895154 0.786015 0.735753 H\n0.895154 0.713985 0.235753 H\n0.104846 0.213985 0.264247 H\n0.164967 0.157901 0.733230 H\n0.835033 0.657901 0.766770 H\n0.835033 0.842099 0.266770 H\n0.164967 0.342099 0.233230 H\n0.715441 0.067195 0.845449 H\n0.284559 0.567195 0.654551 H\n0.284559 0.932805 0.154551 H\n0.715441 0.432805 0.345449 H\n0.742862 0.130484 0.792043 H\n0.257138 0.630484 0.707957 H\n0.257138 0.869516 0.207957 H\n0.742862 0.369516 0.292043 H\n0.290622 0.021528 0.882554 C\n0.709378 0.521528 0.617446 C\n0.709378 0.978472 0.117446 C\n0.290622 0.478472 0.382554 C\n0.597637 0.380061 0.931510 C\n0.402363 0.880061 0.568490 C\n0.402363 0.619939 0.068490 C\n0.597637 0.119939 0.431510 C\n0.998116 0.255835 0.073528 C\n0.001884 0.755835 0.426472 C\n0.001884 0.744165 0.926472 C\n0.998116 0.244165 0.573528 C\n0.394985 0.278418 0.740184 C\n0.605015 0.778418 0.759816 C\n0.605015 0.721582 0.259816 C\n0.394985 0.221582 0.240184 C\n0.521846 0.978232 0.917080 S\n0.478154 0.478232 0.582920 S\n0.478154 0.021768 0.082920 S\n0.521846 0.521768 0.417080 S\n0.442798 0.320118 0.974196 S\n0.557202 0.820118 0.525804 S\n0.557202 0.679882 0.025804 S\n0.442798 0.179882 0.474196 S\n0.993710 0.155010 0.024644 S\n0.006290 0.655010 0.475356 S\n0.006290 0.844990 0.975356 S\n0.993710 0.344990 0.524644 S\n0.573099 0.197788 0.712706 S\n0.426901 0.697788 0.787294 S\n0.426901 0.802212 0.287294 S\n0.573099 0.302212 0.212706 S\n0.987266 0.476146 0.821864 Br\n0.012734 0.976146 0.678136 Br\n0.012734 0.523854 0.178136 Br\n0.987266 0.023854 0.321864 Br\n0.198063 0.119990 0.891870 N\n0.801937 0.619990 0.608130 N\n0.801937 0.880010 0.108130 N\n0.198063 0.380010 0.391870 N\n0.202021 0.954111 0.843849 N\n0.797979 0.454111 0.656151 N\n0.797979 0.045889 0.156151 N\n0.202021 0.545889 0.343849 N\n0.803388 0.376476 0.939486 N\n0.196612 0.876476 0.560514 N\n0.196612 0.623524 0.060514 N\n0.803388 0.123524 0.439486 N\n0.510514 0.436774 0.888822 N\n0.489486 0.936774 0.611178 N\n0.489486 0.563226 0.111178 N\n0.510514 0.063226 0.388822 N\n0.174492 0.272597 0.105046 N\n0.825508 0.772597 0.394954 N\n0.825508 0.727403 0.894954 N\n0.174492 0.227403 0.605046 N\n0.835011 0.320123 0.081821 N\n0.164989 0.820123 0.418179 N\n0.164989 0.679877 0.918179 N\n0.835011 0.179877 0.581821 N\n0.436868 0.386891 0.755507 N\n0.563132 0.886891 0.744493 N\n0.563132 0.613109 0.244493 N\n0.436868 0.113109 0.255507 N\n0.207758 0.237372 0.746897 N\n0.792242 0.737372 0.753103 N\n0.792242 0.762628 0.253103 N\n0.207758 0.262628 0.246897 N\n0.819540 0.094541 0.823561 O\n0.180460 0.594541 0.676439 O\n0.180460 0.905459 0.176439 O\n0.819540 0.405459 0.323561 O\n",
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"structure_string": "Na4 Ca4 Ti4 Mn4 Si8 O32 F4\n1.0\n9.868571 0.000000 0.000000\n0.000000 7.093247 0.000000\n0.000000 3.352475 10.385833\nNa Ca Ti Mn Si O F\n4 4 4 4 8 32 4\ndirect\n0.879040 0.663123 0.425722 Na\n0.120960 0.336877 0.574278 Na\n0.379040 0.336877 0.074278 Na\n0.620960 0.663123 0.925722 Na\n0.608509 0.474737 0.301865 Ca\n0.391491 0.525263 0.698135 Ca\n0.108509 0.525263 0.198135 Ca\n0.891491 0.474737 0.801865 Ca\n0.601351 0.978417 0.282723 Ti\n0.398649 0.021583 0.717277 Ti\n0.101351 0.021583 0.217277 Ti\n0.898649 0.978417 0.782723 Ti\n0.369648 0.864188 0.061219 Mn\n0.630352 0.135812 0.938781 Mn\n0.869648 0.135812 0.438781 Mn\n0.130352 0.864188 0.561219 Mn\n0.835042 0.790208 0.121372 Si\n0.164958 0.209792 0.878628 Si\n0.335042 0.209792 0.378628 Si\n0.664958 0.790208 0.621372 Si\n0.833432 0.326393 0.121563 Si\n0.166568 0.673607 0.878437 Si\n0.333432 0.673607 0.378437 Si\n0.666568 0.326393 0.621563 Si\n0.839358 0.547633 0.142572 O\n0.160642 0.452367 0.857428 O\n0.339358 0.452367 0.357428 O\n0.660642 0.547633 0.642572 O\n0.237211 0.651565 0.015621 O\n0.762789 0.348435 0.984379 O\n0.737211 0.348435 0.484379 O\n0.262789 0.651565 0.515621 O\n0.473545 0.959819 0.873300 O\n0.526455 0.040181 0.126700 O\n0.973545 0.040181 0.626700 O\n0.026455 0.959819 0.373300 O\n0.990359 0.838565 0.154186 O\n0.009641 0.161435 0.845814 O\n0.490359 0.161435 0.345814 O\n0.509641 0.838565 0.654186 O\n0.735449 0.795218 0.241782 O\n0.264551 0.204782 0.758218 O\n0.235449 0.204782 0.258218 O\n0.764551 0.795218 0.741782 O\n0.245759 0.802476 0.252181 O\n0.754241 0.197524 0.747819 O\n0.745759 0.197524 0.247819 O\n0.254241 0.802476 0.752181 O\n0.720702 0.905029 0.478373 O\n0.279298 0.094971 0.521627 O\n0.220702 0.094971 0.021627 O\n0.779298 0.905029 0.978373 O\n0.492995 0.741576 0.368438 O\n0.507005 0.258424 0.631562 O\n0.992995 0.258424 0.131562 O\n0.007005 0.741576 0.868438 O\n0.505161 0.598919 0.112454 F\n0.494839 0.401081 0.887546 F\n0.005161 0.401081 0.387546 F\n0.994839 0.598919 0.612454 F\n",
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"formula_full": "Na4 Ca4 Ti4 Mn4 Si8 O32 F4",
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},
{
"id": "mp-1212500",
"created_at": "2022-09-04T14:45:10.183175Z",
"structure_string": "K2 Na1 Ti2 Fe7 Si8 H4 O31\n1.0\n5.309416 -0.016677 1.231050\n-0.249168 10.543245 5.117648\n0.007115 0.038363 12.078434\nK Na Ti Fe Si H O\n2 1 2 7 8 4 31\ndirect\n0.373490 0.003254 0.255522 K\n0.626510 0.996746 0.744478 K\n0.000000 0.000000 0.000000 Na\n0.493748 0.821423 0.075993 Ti\n0.506252 0.178577 0.924007 Ti\n0.566672 0.521549 0.340503 Fe\n0.433328 0.478451 0.659497 Fe\n0.154070 0.523980 0.201465 Fe\n0.845930 0.476020 0.798535 Fe\n0.707744 0.516297 0.067527 Fe\n0.292256 0.483703 0.932473 Fe\n0.000000 0.500000 0.500000 Fe\n0.798374 0.258026 0.324055 Si\n0.201626 0.741974 0.675945 Si\n0.094452 0.230882 0.726030 Si\n0.905548 0.769118 0.273970 Si\n0.925231 0.237351 0.068188 Si\n0.074769 0.762649 0.931812 Si\n0.229215 0.251935 0.454950 Si\n0.770785 0.748065 0.545050 Si\n0.327704 0.688317 0.404941 H\n0.672296 0.311683 0.595059 H\n0.386196 0.317236 0.154682 H\n0.613804 0.682764 0.845318 H\n0.850791 0.198079 0.222777 O\n0.149209 0.801921 0.777223 O\n0.222192 0.406526 0.400316 O\n0.777808 0.593474 0.599684 O\n0.477349 0.623359 0.165343 O\n0.522651 0.376641 0.834657 O\n0.095430 0.388386 0.666770 O\n0.904570 0.611614 0.333230 O\n0.013554 0.198719 0.411109 O\n0.986446 0.801281 0.588891 O\n0.323269 0.598074 0.461581 O\n0.676731 0.401926 0.538419 O\n0.702111 0.174454 0.042805 O\n0.297889 0.825546 0.957195 O\n0.192466 0.172279 0.044737 O\n0.807534 0.827721 0.955263 O\n0.057528 0.607946 0.014897 O\n0.942472 0.392054 0.985103 O\n0.183547 0.827183 0.197000 O\n0.816453 0.172817 0.803000 O\n0.373873 0.408721 0.116930 O\n0.626127 0.591279 0.883070 O\n0.310549 0.173684 0.805354 O\n0.689451 0.826316 0.194646 O\n0.815499 0.412394 0.258563 O\n0.184501 0.587606 0.741437 O\n0.161618 0.187398 0.608223 O\n0.838382 0.812602 0.391777 O\n0.500000 0.000000 0.000000 O\n0.511700 0.204514 0.410793 O\n0.488300 0.795486 0.589207 O\n",
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],
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"formula_full": "K2 Na1 Ti2 Fe7 Si8 H4 O31",
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},
{
"id": "mp-1227599",
"created_at": "2022-09-04T14:43:38.681543Z",
"structure_string": "Cd4 H36 C12 S4 Br4 Cl8 O4\n1.0\n6.949878 0.000000 0.000000\n0.000000 10.764870 0.000000\n0.000000 0.000000 13.925994\nCd H C S Br Cl O\n4 36 12 4 4 8 4\ndirect\n0.898363 0.250336 0.999920 Cd\n0.398363 0.249664 0.000080 Cd\n0.101637 0.750336 0.500080 Cd\n0.601637 0.749664 0.499920 Cd\n0.990911 0.119963 0.610437 H\n0.490911 0.380037 0.389563 H\n0.009089 0.619963 0.889563 H\n0.509089 0.880037 0.110437 H\n0.009129 0.880053 0.889360 H\n0.509129 0.619947 0.110640 H\n0.990871 0.380053 0.610640 H\n0.490871 0.119947 0.389360 H\n0.872454 0.125380 0.727221 H\n0.372454 0.374620 0.272779 H\n0.127546 0.625380 0.772779 H\n0.627546 0.874620 0.227221 H\n0.127343 0.874728 0.772750 H\n0.627343 0.625272 0.227250 H\n0.872657 0.374728 0.727250 H\n0.372657 0.125272 0.272750 H\n0.551665 0.249583 0.757144 H\n0.051665 0.250417 0.242856 H\n0.448335 0.749583 0.742856 H\n0.948335 0.750417 0.257144 H\n0.431059 0.165290 0.661423 H\n0.931059 0.334710 0.338577 H\n0.568941 0.665290 0.838577 H\n0.068941 0.834710 0.161423 H\n0.569151 0.833885 0.838684 H\n0.069151 0.666115 0.161316 H\n0.430849 0.333885 0.661316 H\n0.930849 0.166115 0.338684 H\n0.768440 0.036932 0.628722 H\n0.268440 0.463068 0.371278 H\n0.231560 0.536932 0.871278 H\n0.731560 0.963068 0.128722 H\n0.231981 0.962974 0.871442 H\n0.731981 0.537026 0.128558 H\n0.768019 0.462974 0.628558 H\n0.268019 0.037026 0.371442 H\n0.853059 0.118946 0.648852 C\n0.353059 0.381054 0.351148 C\n0.146941 0.618946 0.851148 C\n0.646941 0.881054 0.148852 C\n0.147197 0.881103 0.851071 C\n0.647197 0.618897 0.148929 C\n0.852803 0.381103 0.648929 C\n0.352803 0.118897 0.351071 C\n0.510553 0.249571 0.680579 C\n0.010553 0.250429 0.319421 C\n0.489447 0.749571 0.819421 C\n0.989447 0.750429 0.180579 C\n0.721801 0.249971 0.610799 S\n0.221801 0.250029 0.389201 S\n0.278199 0.749971 0.889201 S\n0.778199 0.750029 0.110799 S\n0.148438 0.428027 0.085233 Br\n0.648438 0.071973 0.914767 Br\n0.851562 0.928027 0.414767 Br\n0.351562 0.571973 0.585233 Br\n0.852477 0.588364 0.420882 Cl\n0.352477 0.911636 0.579118 Cl\n0.147523 0.088364 0.079118 Cl\n0.647523 0.411636 0.920882 Cl\n0.146553 0.251872 0.854855 Cl\n0.646553 0.248128 0.145145 Cl\n0.853447 0.751872 0.645145 Cl\n0.353447 0.748128 0.354855 Cl\n0.683672 0.250317 0.508121 O\n0.183672 0.249683 0.491879 O\n0.316328 0.750317 0.991879 O\n0.816328 0.749683 0.008121 O\n",
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"formula_full": "Cd4 H36 C12 S4 Br4 Cl8 O4",
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},
{
"id": "mp-1212630",
"created_at": "2022-09-04T14:41:59.928457Z",
"structure_string": "K2 Ba1 Na2 Ti4 Si8 W4 O28\n1.0\n7.162723 7.153710 0.000000\n-7.162723 7.153710 0.000000\n0.000000 3.846437 7.080434\nK Ba Na Ti Si W O\n2 1 2 4 8 4 28\ndirect\n0.208690 0.208690 0.966737 K\n0.018293 0.018293 0.619804 K\n0.559712 0.559712 0.576846 Ba\n0.755645 0.254747 0.253303 Na\n0.254747 0.755645 0.253303 Na\n0.858728 0.395283 0.770872 Ti\n0.395283 0.858728 0.770872 Ti\n0.139598 0.626649 0.768864 Ti\n0.626649 0.139598 0.768864 Ti\n0.945398 0.727729 0.488786 Si\n0.727729 0.945398 0.488786 Si\n0.202042 0.409521 0.535929 Si\n0.409521 0.202042 0.535929 Si\n0.048366 0.827286 0.039037 Si\n0.827286 0.048366 0.039037 Si\n0.315891 0.529456 0.089491 Si\n0.529456 0.315891 0.089491 Si\n0.947911 0.437242 0.326421 W\n0.437242 0.947911 0.326421 W\n0.805365 0.588680 0.024725 W\n0.588680 0.805365 0.024725 W\n0.291674 0.501705 0.311898 O\n0.501705 0.291674 0.311898 O\n0.875982 0.875982 0.485911 O\n0.245948 0.245948 0.582796 O\n0.244607 0.480851 0.665514 O\n0.480851 0.244607 0.665514 O\n0.084387 0.733781 0.544258 O\n0.733781 0.084387 0.544258 O\n0.965769 0.498433 0.861943 O\n0.498433 0.965769 0.861943 O\n0.682744 0.416856 0.983282 O\n0.416856 0.682744 0.983282 O\n0.036575 0.394674 0.557470 O\n0.394674 0.036575 0.557470 O\n0.406629 0.406629 0.022741 O\n0.973872 0.973872 0.015610 O\n0.165455 0.523489 0.058118 O\n0.523489 0.165455 0.058118 O\n0.877968 0.216848 0.950879 O\n0.216848 0.877968 0.950879 O\n0.756537 0.317800 0.651239 O\n0.317800 0.756537 0.651239 O\n0.008061 0.734857 0.264838 O\n0.734857 0.008061 0.264838 O\n0.998335 0.739268 0.929574 O\n0.739268 0.998335 0.929574 O\n0.827039 0.589026 0.601587 O\n0.589026 0.827039 0.601587 O\n",
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}
]
}