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{
"id": "mp-582108",
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"structure_string": "Sr42 Cd8 Bi36\n1.0\n9.005065 9.406122 0.000000\n-9.005065 9.406122 0.000000\n0.000000 0.631425 18.470315\nSr Cd Bi\n42 8 36\ndirect\n0.741282 0.402977 0.156309 Sr\n0.003079 0.260039 0.061408 Sr\n0.007989 0.769388 0.575864 Sr\n0.578875 0.927935 0.757663 Sr\n0.758525 0.070408 0.351241 Sr\n0.428458 0.679122 0.381638 Sr\n0.929592 0.241475 0.648759 Sr\n0.593476 0.593476 0.745856 Sr\n0.230612 0.992011 0.424136 Sr\n0.504960 0.181106 0.435410 Sr\n0.181106 0.504960 0.435410 Sr\n0.739961 0.996921 0.938592 Sr\n0.421125 0.072065 0.242337 Sr\n0.250517 0.924109 0.854414 Sr\n0.491071 0.745181 0.944053 Sr\n0.402977 0.741282 0.156309 Sr\n0.495040 0.818894 0.564590 Sr\n0.992011 0.230612 0.424136 Sr\n0.924109 0.250517 0.854414 Sr\n0.241475 0.929592 0.648759 Sr\n0.508929 0.254819 0.055947 Sr\n0.254346 0.254346 0.582261 Sr\n0.070408 0.758525 0.351241 Sr\n0.597023 0.258718 0.843691 Sr\n0.745654 0.745654 0.417739 Sr\n0.769388 0.007989 0.575864 Sr\n0.736106 0.736106 0.094057 Sr\n0.254819 0.508929 0.055947 Sr\n0.260039 0.003079 0.061408 Sr\n0.263894 0.263894 0.905943 Sr\n0.406524 0.406524 0.254144 Sr\n0.927935 0.578875 0.757663 Sr\n0.075891 0.749483 0.145586 Sr\n0.679122 0.428458 0.381638 Sr\n0.745181 0.491071 0.944053 Sr\n0.749483 0.075891 0.145586 Sr\n0.320878 0.571542 0.618362 Sr\n0.818894 0.495040 0.564590 Sr\n0.571542 0.320878 0.618362 Sr\n0.258718 0.597023 0.843691 Sr\n0.072065 0.421125 0.242337 Sr\n0.996921 0.739961 0.938592 Sr\n0.610105 0.856993 0.246780 Cd\n0.997827 0.997827 0.790631 Cd\n0.844960 0.844960 0.753214 Cd\n0.002173 0.002173 0.209369 Cd\n0.856993 0.610105 0.246780 Cd\n0.389895 0.143007 0.753220 Cd\n0.155040 0.155040 0.246786 Cd\n0.143007 0.389895 0.753220 Cd\n0.618003 0.618003 0.256196 Bi\n0.760825 0.396642 0.743666 Bi\n0.939615 0.939615 0.059297 Bi\n0.396642 0.760825 0.743666 Bi\n0.739433 0.739433 0.883318 Bi\n0.755786 0.244214 0.000000 Bi\n0.943545 0.542475 0.092651 Bi\n0.748548 0.748548 0.623807 Bi\n0.049252 0.049252 0.565531 Bi\n0.782710 0.079387 0.756599 Bi\n0.463482 0.463482 0.923601 Bi\n0.152827 0.152827 0.746918 Bi\n0.244943 0.755057 0.500000 Bi\n0.920613 0.217290 0.243401 Bi\n0.251452 0.251452 0.376193 Bi\n0.847173 0.847173 0.253082 Bi\n0.532815 0.928305 0.392812 Bi\n0.381997 0.381997 0.743804 Bi\n0.603358 0.239175 0.256334 Bi\n0.239175 0.603358 0.256334 Bi\n0.060385 0.060385 0.940703 Bi\n0.056455 0.457525 0.907349 Bi\n0.536518 0.536518 0.076399 Bi\n0.071695 0.467185 0.607188 Bi\n0.260567 0.260567 0.116682 Bi\n0.574702 0.574702 0.535638 Bi\n0.928305 0.532815 0.392812 Bi\n0.457525 0.056455 0.907349 Bi\n0.755057 0.244943 0.500000 Bi\n0.244214 0.755786 0.000000 Bi\n0.542475 0.943545 0.092651 Bi\n0.217290 0.920613 0.243401 Bi\n0.425298 0.425298 0.464362 Bi\n0.467185 0.071695 0.607188 Bi\n0.079387 0.782710 0.756599 Bi\n0.950748 0.950748 0.434469 Bi\n",
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"formula_full": "Sr42 Cd8 Bi36",
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"spacegroup": 12
},
{
"id": "mp-1245349",
"created_at": "2022-09-04T14:40:58.351295Z",
"structure_string": "Rb56 V8 N32\n1.0\n14.625481 -0.000000 0.000000\n0.000000 14.625481 0.000000\n0.000000 0.000000 14.625481\nRb V N\n56 8 32\ndirect\n0.294766 0.705234 0.205234 Rb\n0.705234 0.205234 0.294766 Rb\n0.205234 0.294766 0.705234 Rb\n0.794766 0.794766 0.794766 Rb\n0.705234 0.294766 0.794766 Rb\n0.294766 0.794766 0.705234 Rb\n0.794766 0.705234 0.294766 Rb\n0.205234 0.205234 0.205234 Rb\n0.322967 0.595657 0.470692 Rb\n0.677033 0.095657 0.029308 Rb\n0.177033 0.404343 0.970692 Rb\n0.822967 0.904343 0.529308 Rb\n0.470692 0.322967 0.595657 Rb\n0.029308 0.677033 0.095657 Rb\n0.970692 0.177033 0.404343 Rb\n0.529308 0.822967 0.904343 Rb\n0.595657 0.470692 0.322967 Rb\n0.095657 0.029308 0.677033 Rb\n0.404343 0.970692 0.177033 Rb\n0.904343 0.529308 0.822967 Rb\n0.677033 0.404343 0.529308 Rb\n0.322967 0.904343 0.970692 Rb\n0.822967 0.595657 0.029308 Rb\n0.177033 0.095657 0.470692 Rb\n0.529308 0.677033 0.404343 Rb\n0.970692 0.322967 0.904343 Rb\n0.029308 0.822967 0.595657 Rb\n0.470692 0.177033 0.095657 Rb\n0.404343 0.529308 0.677033 Rb\n0.904343 0.970692 0.322967 Rb\n0.595657 0.029308 0.822967 Rb\n0.095657 0.470692 0.177033 Rb\n0.327966 0.863623 0.435845 Rb\n0.672034 0.363623 0.064156 Rb\n0.172034 0.136377 0.935844 Rb\n0.827966 0.636377 0.564156 Rb\n0.435845 0.327966 0.863623 Rb\n0.064156 0.672034 0.363623 Rb\n0.935844 0.172034 0.136377 Rb\n0.564156 0.827966 0.636377 Rb\n0.863623 0.435845 0.327966 Rb\n0.363623 0.064156 0.672034 Rb\n0.136377 0.935844 0.172034 Rb\n0.636377 0.564156 0.827966 Rb\n0.672034 0.136377 0.564156 Rb\n0.327966 0.636377 0.935844 Rb\n0.827966 0.863623 0.064156 Rb\n0.172034 0.363623 0.435845 Rb\n0.564156 0.672034 0.136377 Rb\n0.935844 0.327966 0.636377 Rb\n0.064156 0.827966 0.863623 Rb\n0.435845 0.172034 0.363623 Rb\n0.136377 0.564156 0.672034 Rb\n0.636377 0.935844 0.327966 Rb\n0.863623 0.064156 0.827966 Rb\n0.363623 0.435845 0.172034 Rb\n0.108183 0.891817 0.391817 V\n0.891817 0.391817 0.108183 V\n0.391817 0.108183 0.891817 V\n0.608183 0.608183 0.608183 V\n0.891817 0.108183 0.608183 V\n0.108183 0.608183 0.891817 V\n0.608183 0.891817 0.108183 V\n0.391817 0.391817 0.391817 V\n0.182146 0.817854 0.317854 N\n0.817854 0.317854 0.182146 N\n0.317854 0.182146 0.817854 N\n0.682146 0.682146 0.682146 N\n0.817854 0.182146 0.682146 N\n0.182146 0.682146 0.817854 N\n0.682146 0.817854 0.182146 N\n0.317854 0.317854 0.317854 N\n0.090149 0.004651 0.335046 N\n0.909851 0.504651 0.164954 N\n0.409851 0.995349 0.835046 N\n0.590149 0.495349 0.664954 N\n0.335046 0.090149 0.004651 N\n0.164954 0.909851 0.504651 N\n0.835046 0.409851 0.995349 N\n0.664954 0.590149 0.495349 N\n0.004651 0.335046 0.090149 N\n0.504651 0.164954 0.909851 N\n0.995349 0.835046 0.409851 N\n0.495349 0.664954 0.590149 N\n0.909851 0.995349 0.664954 N\n0.090149 0.495349 0.835046 N\n0.590149 0.004651 0.164954 N\n0.409851 0.504651 0.335046 N\n0.664954 0.909851 0.995349 N\n0.835046 0.090149 0.495349 N\n0.164954 0.590149 0.004651 N\n0.335046 0.409851 0.504651 N\n0.995349 0.664954 0.909851 N\n0.495349 0.835046 0.090149 N\n0.004651 0.164954 0.590149 N\n0.504651 0.335046 0.409851 N\n",
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},
{
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"structure_string": "Rh24 C76 N4 O60\n1.0\n9.714772 0.000000 -1.276005\n0.000000 17.928814 0.000000\n-0.208442 0.000000 17.975164\nRh C N O\n24 76 4 60\ndirect\n0.001410 0.424594 0.493469 Rh\n0.998590 0.924594 0.006531 Rh\n0.998590 0.575406 0.506531 Rh\n0.001410 0.075406 0.993469 Rh\n0.044094 0.292863 0.589628 Rh\n0.955906 0.792863 0.910372 Rh\n0.955906 0.707137 0.410372 Rh\n0.044094 0.207137 0.089628 Rh\n0.003748 0.189517 0.468698 Rh\n0.996252 0.689517 0.031302 Rh\n0.996252 0.810483 0.531302 Rh\n0.003748 0.310483 0.968698 Rh\n0.962552 0.316046 0.372687 Rh\n0.037448 0.816046 0.127313 Rh\n0.037448 0.683954 0.627313 Rh\n0.962552 0.183954 0.872687 Rh\n0.803924 0.297150 0.492164 Rh\n0.196076 0.797150 0.007836 Rh\n0.196076 0.702850 0.507836 Rh\n0.803924 0.202850 0.992164 Rh\n0.202892 0.303680 0.470362 Rh\n0.797108 0.803680 0.029638 Rh\n0.797108 0.696320 0.529638 Rh\n0.202892 0.196320 0.970362 Rh\n0.905316 0.493797 0.557844 C\n0.094684 0.993797 0.942156 C\n0.094684 0.506203 0.442156 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{
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"structure_string": "Zr2 Cu1 Sn3\n1.0\n8.987911 0.000000 0.000000\n0.000000 8.987911 0.000000\n0.000000 0.000000 38.670931\nZr Cu Sn\n2 1 3\ndirect\n0.500000 0.500000 0.251613 Zr\n0.500000 0.500000 0.748387 Zr\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.675783 Sn\n0.500000 0.500000 0.324217 Sn\n0.500000 0.500000 0.000000 Sn\n",
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{
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{
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{
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{
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"structure_string": "Cs4 Pr24 Fe4 I40\n1.0\n13.893152 0.000000 0.000000\n0.000000 14.312730 0.000000\n0.000000 0.000000 15.660016\nCs Pr Fe I\n4 24 4 40\ndirect\n0.250000 0.486883 0.416426 Cs\n0.750000 0.513117 0.583574 Cs\n0.750000 0.986883 0.083574 Cs\n0.250000 0.013117 0.916426 Cs\n0.250000 0.393346 0.007926 Pr\n0.750000 0.606654 0.992074 Pr\n0.750000 0.893346 0.492074 Pr\n0.250000 0.106654 0.507926 Pr\n0.250000 0.895607 0.230946 Pr\n0.750000 0.104393 0.769054 Pr\n0.750000 0.395607 0.269054 Pr\n0.250000 0.604393 0.730946 Pr\n0.608100 0.382987 0.057873 Pr\n0.391900 0.617013 0.942127 Pr\n0.391900 0.882987 0.442127 Pr\n0.108100 0.617013 0.942127 Pr\n0.608100 0.117013 0.557873 Pr\n0.891900 0.382987 0.057873 Pr\n0.891900 0.117013 0.557873 Pr\n0.108100 0.882987 0.442127 Pr\n0.108507 0.115799 0.296745 Pr\n0.891493 0.884201 0.703255 Pr\n0.891493 0.615799 0.203255 Pr\n0.608507 0.884201 0.703255 Pr\n0.108507 0.384201 0.796745 Pr\n0.391493 0.115799 0.296745 Pr\n0.391493 0.384201 0.796745 Pr\n0.608507 0.615799 0.203255 Pr\n0.250000 0.000718 0.371086 Fe\n0.750000 0.999282 0.628914 Fe\n0.750000 0.500718 0.128914 Fe\n0.250000 0.499282 0.871086 Fe\n0.075703 0.248367 0.462376 I\n0.924297 0.751633 0.537624 I\n0.924297 0.748367 0.037624 I\n0.575703 0.751633 0.537624 I\n0.075703 0.251633 0.962376 I\n0.424297 0.248367 0.462376 I\n0.424297 0.251633 0.962376 I\n0.575703 0.748367 0.037624 I\n0.083660 0.501332 0.124940 I\n0.916340 0.498668 0.875060 I\n0.916340 0.001332 0.375060 I\n0.583660 0.498668 0.875060 I\n0.083660 0.998668 0.624940 I\n0.416340 0.501332 0.124940 I\n0.416340 0.998668 0.624940 I\n0.583660 0.001332 0.375060 I\n0.250000 0.762708 0.036820 I\n0.750000 0.237292 0.963180 I\n0.750000 0.262708 0.463180 I\n0.250000 0.737292 0.536820 I\n0.250000 0.274107 0.217636 I\n0.750000 0.725893 0.782364 I\n0.750000 0.774107 0.282364 I\n0.250000 0.225893 0.717636 I\n0.590745 0.237508 0.211904 I\n0.409255 0.762492 0.788096 I\n0.409255 0.737508 0.288096 I\n0.090745 0.762492 0.788096 I\n0.590745 0.262492 0.711904 I\n0.909255 0.237508 0.211904 I\n0.909255 0.262492 0.711904 I\n0.090745 0.737508 0.288096 I\n0.082235 0.000557 0.124171 I\n0.917765 0.999443 0.875829 I\n0.917765 0.500557 0.375829 I\n0.582235 0.999443 0.875829 I\n0.082235 0.499443 0.624171 I\n0.417765 0.000557 0.124171 I\n0.417765 0.499443 0.624171 I\n0.582235 0.500557 0.375829 I\n",
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0.388566 Os\n0.531025 0.599049 0.158998 Os\n0.968975 0.099049 0.658998 Os\n0.468975 0.400951 0.841002 Os\n0.031025 0.900951 0.341002 Os\n0.485505 0.304301 0.147294 Os\n0.014495 0.804301 0.647294 Os\n0.514495 0.695699 0.852706 Os\n0.985505 0.195699 0.352706 Os\n0.631848 0.190504 0.351832 Os\n0.868152 0.690504 0.851832 Os\n0.368152 0.809496 0.648168 Os\n0.131848 0.309496 0.148168 Os\n0.682506 0.483417 0.365944 Os\n0.817494 0.983417 0.865944 Os\n0.317494 0.516583 0.634056 Os\n0.182506 0.016583 0.134056 Os\n0.592275 0.395608 0.244381 Pt\n0.907725 0.895608 0.744381 Pt\n0.407725 0.604392 0.755619 Pt\n0.092275 0.104392 0.255619 Pt\n0.527198 0.394540 0.390374 Pt\n0.972802 0.894540 0.890374 Pt\n0.472802 0.605460 0.609626 Pt\n0.027198 0.105460 0.109626 Pt\n0.436324 0.279242 0.413393 C\n0.063676 0.779242 0.913393 C\n0.563676 0.720758 0.586607 C\n0.936324 0.220758 0.086607 C\n0.487576 0.573465 0.412463 C\n0.012424 0.073465 0.912463 C\n0.512424 0.426535 0.587537 C\n0.987576 0.926535 0.087537 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}