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{
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{
"id": "mp-558087",
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"structure_string": "Na4 Ca6 Si12 O32\n1.0\n7.304669 0.000000 0.000000\n1.624256 10.156301 0.000000\n3.644743 1.652298 10.027420\nNa Ca Si O\n4 6 12 32\ndirect\n0.177212 0.418845 0.175476 Na\n0.917629 0.865389 0.479522 Na\n0.082371 0.134611 0.520478 Na\n0.822788 0.581155 0.824524 Na\n0.845104 0.875187 0.120129 Ca\n0.351471 0.865574 0.112008 Ca\n0.154896 0.124813 0.879871 Ca\n0.418940 0.849880 0.484622 Ca\n0.581060 0.150120 0.515378 Ca\n0.648529 0.134426 0.887992 Ca\n0.253780 0.601264 0.360631 Si\n0.185554 0.401995 0.626864 Si\n0.351625 0.416360 0.849922 Si\n0.450132 0.126590 0.231306 Si\n0.773442 0.312789 0.076101 Si\n0.814446 0.598005 0.373136 Si\n0.648375 0.583640 0.150078 Si\n0.981332 0.867322 0.768809 Si\n0.746220 0.398736 0.639369 Si\n0.549868 0.873410 0.768694 Si\n0.018668 0.132678 0.231191 Si\n0.226558 0.687211 0.923899 Si\n0.294376 0.501367 0.490196 O\n0.559620 0.265987 0.175224 O\n0.743624 0.754776 0.371289 O\n0.065637 0.023600 0.130696 O\n0.257999 0.757894 0.359151 O\n0.705624 0.498633 0.509804 O\n0.112153 0.912583 0.616881 O\n0.440380 0.734013 0.824776 O\n0.222075 0.182152 0.237121 O\n0.256376 0.245224 0.628711 O\n0.579965 0.450976 0.771405 O\n0.934363 0.976400 0.869304 O\n0.260463 0.521750 0.958047 O\n0.420035 0.549024 0.228595 O\n0.074135 0.722163 0.836366 O\n0.887847 0.087417 0.383119 O\n0.742001 0.242106 0.640849 O\n0.653214 0.736939 0.081956 O\n0.451453 0.978079 0.873532 O\n0.051202 0.560810 0.348820 O\n0.739537 0.478250 0.041953 O\n0.777925 0.817848 0.762879 O\n0.852650 0.248861 0.942043 O\n0.346786 0.263061 0.918044 O\n0.554628 0.932983 0.617149 O\n0.147350 0.751139 0.057957 O\n0.780621 0.542140 0.251229 O\n0.219379 0.457860 0.748771 O\n0.925865 0.277837 0.163634 O\n0.445372 0.067017 0.382851 O\n0.948798 0.439190 0.651180 O\n0.548547 0.021921 0.126468 O\n",
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{
"id": "mp-651728",
"created_at": "2022-09-04T14:43:19.441024Z",
"structure_string": "V4 Sb8 N4 Cl56\n1.0\n6.434262 0.000000 0.000000\n0.000000 13.092971 0.000000\n0.000000 7.619858 24.062056\nV Sb N Cl\n4 8 4 56\ndirect\n0.948893 0.872431 0.138124 V\n0.551107 0.872431 0.638124 V\n0.051107 0.127569 0.861876 V\n0.448893 0.127569 0.361876 V\n0.429003 0.295782 0.466037 Sb\n0.600591 0.298004 0.212190 Sb\n0.100591 0.701996 0.287810 Sb\n0.399409 0.701996 0.787810 Sb\n0.899409 0.298004 0.712190 Sb\n0.929003 0.704218 0.033963 Sb\n0.570997 0.704218 0.533963 Sb\n0.070997 0.295782 0.966037 Sb\n0.416590 0.975236 0.646266 N\n0.083410 0.975236 0.146266 N\n0.583410 0.024764 0.353734 N\n0.916590 0.024764 0.853734 N\n0.290928 0.191191 0.270251 Cl\n0.717554 0.928691 0.346806 Cl\n0.777190 0.696749 0.125820 Cl\n0.420423 0.315655 0.128167 Cl\n0.839931 0.955115 0.604844 Cl\n0.258043 0.442538 0.975069 Cl\n0.164927 0.169351 0.507113 Cl\n0.617929 0.128528 0.442588 Cl\n0.079577 0.315655 0.628167 Cl\n0.835073 0.830649 0.492887 Cl\n0.381708 0.749631 0.449956 Cl\n0.409065 0.614707 0.324758 Cl\n0.579577 0.684345 0.871833 Cl\n0.787663 0.397320 0.917734 Cl\n0.217554 0.071309 0.153194 Cl\n0.881708 0.250369 0.050044 Cl\n0.712337 0.397320 0.417734 Cl\n0.758043 0.557462 0.524931 Cl\n0.769341 0.258240 0.810806 Cl\n0.222810 0.303251 0.874180 Cl\n0.241957 0.442538 0.475069 Cl\n0.728211 0.126244 0.212965 Cl\n0.118292 0.749631 0.949956 Cl\n0.664927 0.830649 0.992887 Cl\n0.790928 0.808809 0.229749 Cl\n0.709072 0.808809 0.729749 Cl\n0.660069 0.955115 0.104844 Cl\n0.741957 0.557462 0.024931 Cl\n0.618292 0.250369 0.550044 Cl\n0.058178 0.453285 0.722808 Cl\n0.782446 0.928691 0.846806 Cl\n0.558178 0.546715 0.777192 Cl\n0.722810 0.696749 0.625820 Cl\n0.287663 0.602680 0.582266 Cl\n0.441822 0.453285 0.222808 Cl\n0.277190 0.303251 0.374180 Cl\n0.212337 0.602680 0.082266 Cl\n0.117929 0.871472 0.057412 Cl\n0.909065 0.385293 0.175242 Cl\n0.920423 0.684345 0.371833 Cl\n0.590935 0.385293 0.675242 Cl\n0.339931 0.044885 0.895156 Cl\n0.228211 0.873756 0.287035 Cl\n0.382071 0.871472 0.557412 Cl\n0.209072 0.191191 0.770251 Cl\n0.160069 0.044885 0.395156 Cl\n0.230659 0.741760 0.189194 Cl\n0.941822 0.546715 0.277192 Cl\n0.335073 0.169351 0.007113 Cl\n0.282446 0.071309 0.653194 Cl\n0.269341 0.741760 0.689194 Cl\n0.730659 0.258240 0.310806 Cl\n0.271789 0.873756 0.787035 Cl\n0.090935 0.614707 0.824758 Cl\n0.771789 0.126244 0.712965 Cl\n0.882071 0.128528 0.942588 Cl\n",
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{
"id": "mp-1179369",
"created_at": "2022-09-04T14:39:30.266399Z",
"structure_string": "Th4 S8 O64\n1.0\n12.472280 0.000000 0.000000\n0.000000 7.855319 0.000000\n0.000000 5.572143 14.194837\nTh S O\n4 8 64\ndirect\n0.621445 0.806489 0.714299 Th\n0.878555 0.806489 0.214299 Th\n0.378555 0.193511 0.285701 Th\n0.121445 0.193511 0.785701 Th\n0.716186 0.747955 0.547546 S\n0.783814 0.747955 0.047546 S\n0.283814 0.252045 0.452454 S\n0.216186 0.252045 0.952454 S\n0.604293 0.143990 0.760625 S\n0.895707 0.143990 0.260625 S\n0.395707 0.856010 0.239375 S\n0.104293 0.856010 0.739375 S\n0.891016 0.254178 0.517680 O\n0.608984 0.254178 0.017680 O\n0.108984 0.745822 0.482320 O\n0.391016 0.745822 0.982320 O\n0.906245 0.279381 0.937868 O\n0.593755 0.279381 0.437868 O\n0.093755 0.720619 0.062132 O\n0.406245 0.720619 0.562132 O\n0.635618 0.629540 0.625381 O\n0.864382 0.629540 0.125381 O\n0.364382 0.370460 0.374619 O\n0.135618 0.370460 0.874619 O\n0.447229 0.561625 0.814821 O\n0.052771 0.561625 0.314821 O\n0.552771 0.438375 0.185179 O\n0.947229 0.438375 0.685179 O\n0.809898 0.643123 0.544892 O\n0.690102 0.643123 0.044892 O\n0.190102 0.356877 0.455108 O\n0.309898 0.356877 0.955108 O\n0.741614 0.892223 0.593802 O\n0.758386 0.892223 0.093802 O\n0.258386 0.107777 0.406198 O\n0.241614 0.107777 0.906198 O\n0.607469 0.112008 0.664032 O\n0.892531 0.112008 0.164032 O\n0.392531 0.887992 0.335968 O\n0.107469 0.887992 0.835968 O\n0.417975 0.713641 0.814905 O\n0.082025 0.713641 0.314905 O\n0.582025 0.286359 0.185095 O\n0.917975 0.286359 0.685095 O\n0.506366 0.236059 0.767278 O\n0.993634 0.236059 0.267278 O\n0.493634 0.763941 0.232722 O\n0.006366 0.763941 0.732722 O\n0.703891 0.224290 0.774403 O\n0.796109 0.224290 0.274403 O\n0.296109 0.775710 0.225597 O\n0.203891 0.775710 0.725597 O\n0.806034 0.719024 0.816549 O\n0.693966 0.719024 0.316549 O\n0.193966 0.280976 0.183451 O\n0.306034 0.280976 0.683451 O\n0.770307 0.559421 0.839669 O\n0.729693 0.559421 0.339669 O\n0.229693 0.440579 0.160331 O\n0.270307 0.440579 0.660331 O\n0.600967 0.936494 0.826255 O\n0.899033 0.936494 0.326255 O\n0.399033 0.063506 0.173745 O\n0.100967 0.063506 0.673745 O\n0.431139 0.812137 0.609559 O\n0.068861 0.812137 0.109559 O\n0.568861 0.187863 0.390441 O\n0.931139 0.187863 0.890441 O\n0.595528 0.405010 0.956254 O\n0.904472 0.405010 0.456254 O\n0.404472 0.594990 0.043746 O\n0.095528 0.594990 0.543746 O\n0.658853 0.836590 0.460093 O\n0.841147 0.836590 0.960093 O\n0.341147 0.163410 0.539907 O\n0.158853 0.163410 0.039907 O\n",
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{
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"structure_string": "Cr4 N8\n1.0\n-5.270943 0.000000 0.000000\n-0.276195 -5.610587 0.000000\n2.101682 2.403406 6.814370\nCr N\n4 8\ndirect\n0.433620 0.087916 0.874634 Cr\n0.893515 0.050744 0.216830 Cr\n0.500593 0.150365 0.522743 Cr\n0.884494 0.430380 0.938315 Cr\n0.184328 0.189641 0.363965 N\n0.362949 0.871838 0.945545 N\n0.434014 0.935826 0.615346 N\n0.709773 0.052588 0.374929 N\n0.167114 0.293760 0.905885 N\n0.942252 0.733389 0.097148 N\n0.755408 0.231176 0.050479 N\n0.654993 0.417879 0.717432 N\n",
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{
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"structure_string": "Cu2 P2 H12 N2 O10\n1.0\n4.841589 0.000000 0.000000\n0.000000 5.760880 0.000000\n0.000000 0.000000 8.785427\nCu P H N O\n2 2 12 2 10\ndirect\n0.492147 0.000000 0.022275 Cu\n0.992147 0.500000 0.977725 Cu\n0.935561 0.000000 0.811720 P\n0.435561 0.500000 0.188280 P\n0.550326 0.000000 0.545482 H\n0.050326 0.500000 0.454518 H\n0.377327 0.147206 0.408363 H\n0.877327 0.352794 0.591637 H\n0.377327 0.852794 0.408363 H\n0.877327 0.647206 0.591637 H\n0.193326 0.000000 0.543316 H\n0.693326 0.500000 0.456684 H\n0.895842 0.137209 0.186123 H\n0.395842 0.362791 0.813877 H\n0.895842 0.862791 0.186123 H\n0.395842 0.637209 0.813877 H\n0.374134 0.000000 0.475837 N\n0.874134 0.500000 0.524163 N\n0.791329 0.785312 0.888270 O\n0.291329 0.714688 0.111730 O\n0.791329 0.214688 0.888270 O\n0.291329 0.285312 0.111730 O\n0.251144 0.000000 0.836027 O\n0.751144 0.500000 0.163973 O\n0.882473 0.000000 0.636821 O\n0.382473 0.500000 0.363179 O\n0.778893 0.000000 0.204240 O\n0.278893 0.500000 0.795760 O\n",
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{
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"structure_string": "Mg12 Co2 Si2\n1.0\n4.717342 0.000000 0.000000\n0.000000 6.017891 0.000000\n0.000000 0.000000 10.330003\nMg Co Si\n12 2 2\ndirect\n0.500000 0.248854 0.583833 Mg\n0.500000 0.751146 0.583833 Mg\n0.000000 0.258249 0.411658 Mg\n0.000000 0.741751 0.411658 Mg\n0.000000 0.000000 0.674988 Mg\n0.000000 0.000000 0.169581 Mg\n0.500000 0.748854 0.083833 Mg\n0.500000 0.251146 0.083833 Mg\n0.000000 0.758249 0.911658 Mg\n0.000000 0.241751 0.911658 Mg\n0.000000 0.500000 0.174988 Mg\n0.000000 0.500000 0.669581 Mg\n0.500000 0.000000 0.833311 Co\n0.500000 0.500000 0.333311 Co\n0.500000 0.000000 0.331141 Si\n0.500000 0.500000 0.831141 Si\n",
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{
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"structure_string": "Ce1 Mg14 Cd1\n1.0\n3.226990 -5.614639 0.000000\n3.226990 5.614639 0.000000\n0.000000 0.000000 10.301429\nCe Mg Cd\n1 14 1\ndirect\n0.832717 0.167283 0.500000 Ce\n0.833348 0.166652 0.000000 Mg\n0.333451 0.666549 0.000000 Mg\n0.336814 0.173334 0.500000 Mg\n0.333410 0.166947 0.000000 Mg\n0.826666 0.663186 0.500000 Mg\n0.833053 0.666590 0.000000 Mg\n0.169184 0.334363 0.246616 Mg\n0.169184 0.334363 0.753384 Mg\n0.665637 0.830816 0.246616 Mg\n0.665637 0.830816 0.753384 Mg\n0.665508 0.334492 0.245943 Mg\n0.665508 0.334492 0.754057 Mg\n0.166720 0.833280 0.253356 Mg\n0.166720 0.833280 0.746644 Mg\n0.336453 0.663547 0.500000 Cd\n",
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{
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