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{
"id": "mp-725076",
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"structure_string": "K1 Mn1 H5 S2 O10\n1.0\n6.257170 0.000000 0.000000\n2.183895 6.354889 0.000000\n1.135872 0.371367 6.872070\nK Mn H S O\n1 1 5 2 10\ndirect\n0.600184 0.815845 0.924800 K\n0.976423 0.150438 0.215876 Mn\n0.747742 0.186718 0.688676 H\n0.610616 0.743263 0.504347 H\n0.308573 0.125939 0.434588 H\n0.347090 0.280190 0.257341 H\n0.318162 0.724518 0.283035 H\n0.924585 0.794015 0.324817 S\n0.027849 0.273648 0.757673 S\n0.304808 0.151731 0.289952 O\n0.222997 0.089244 0.682525 O\n0.717192 0.236187 0.426312 O\n0.131152 0.842264 0.154444 O\n0.773153 0.409973 0.322888 O\n0.341944 0.645245 0.415886 O\n0.055356 0.308072 0.965627 O\n0.104374 0.688759 0.496168 O\n0.719836 0.800689 0.547037 O\n0.801965 0.181261 0.818007 O\n",
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{
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{
"id": "mp-1214186",
"created_at": "2022-09-04T14:39:09.430591Z",
"structure_string": "C12 I4 F8\n1.0\n6.125917 0.000000 0.000000\n0.000000 8.095776 0.000000\n0.000000 1.707800 9.161721\nC I F\n12 4 8\ndirect\n0.193389 0.969382 0.932192 C\n0.806611 0.030618 0.067808 C\n0.693389 0.030618 0.567808 C\n0.306611 0.969382 0.432192 C\n0.428827 0.836320 0.508052 C\n0.571173 0.163680 0.491948 C\n0.928827 0.163680 0.991948 C\n0.071173 0.836320 0.008052 C\n0.875798 0.864559 0.077148 C\n0.124202 0.135441 0.922852 C\n0.375798 0.135441 0.422852 C\n0.624202 0.864559 0.577148 C\n0.306264 0.334779 0.809458 I\n0.693736 0.665221 0.190542 I\n0.806264 0.665221 0.690542 I\n0.193736 0.334779 0.309458 I\n0.354623 0.677719 0.513400 F\n0.645377 0.322281 0.486600 F\n0.854623 0.322281 0.986600 F\n0.145377 0.677719 0.013400 F\n0.380848 0.934518 0.866447 F\n0.619152 0.065482 0.133553 F\n0.880848 0.065482 0.633553 F\n0.119152 0.934518 0.366447 F\n",
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{
"id": "mp-1223723",
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"structure_string": "K8 La1 P4 S16\n1.0\n-4.476268 4.923478 9.188878\n4.476268 -4.923478 9.188878\n4.476268 4.923478 -9.188878\nK La P S\n8 1 4 16\ndirect\n0.255121 0.755121 0.500000 K\n0.744879 0.244879 0.500000 K\n0.234239 0.234239 0.000000 K\n0.765761 0.765761 0.000000 K\n0.322114 0.711900 0.874169 K\n0.162269 0.288100 0.610214 K\n0.677886 0.552055 0.389786 K\n0.837731 0.447945 0.125831 K\n0.500000 0.000000 0.500000 La\n0.618724 0.080163 0.951927 P\n0.871763 0.919837 0.538561 P\n0.381276 0.333203 0.461439 P\n0.128237 0.666797 0.048073 P\n0.502039 0.219109 0.871181 S\n0.652072 0.780891 0.282930 S\n0.497961 0.369142 0.717070 S\n0.347928 0.630858 0.128819 S\n0.997770 0.777959 0.607780 S\n0.829821 0.222041 0.219811 S\n0.002230 0.610010 0.780189 S\n0.170179 0.389990 0.392220 S\n0.508352 0.011399 0.992337 S\n0.980939 0.988601 0.496954 S\n0.491648 0.483985 0.503046 S\n0.019061 0.516015 0.007663 S\n0.159391 0.912198 0.284449 S\n0.372251 0.087802 0.247193 S\n0.840609 0.125058 0.752807 S\n0.627750 0.874942 0.715551 S\n",
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"formula_full": "K8 La1 P4 S16",
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{
"id": "mp-1213935",
"created_at": "2022-09-04T14:39:09.767323Z",
"structure_string": "Cd2 Ni2 P8 O24\n1.0\n4.333652 6.062175 0.000000\n-4.333652 6.062175 0.000000\n0.000000 4.712122 8.906153\nCd Ni P O\n2 2 8 24\ndirect\n0.450132 0.549868 0.250000 Cd\n0.549868 0.450132 0.750000 Cd\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.767562 0.219387 0.475034 P\n0.232438 0.780613 0.524966 P\n0.780613 0.232438 0.024966 P\n0.219387 0.767562 0.975034 P\n0.812813 0.805156 0.196073 P\n0.187187 0.194844 0.803927 P\n0.194844 0.187187 0.303927 P\n0.805156 0.812813 0.696073 P\n0.593124 0.324401 0.418757 O\n0.406876 0.675599 0.581243 O\n0.675599 0.406876 0.081243 O\n0.324401 0.593124 0.918757 O\n0.309360 0.153534 0.155659 O\n0.690640 0.846466 0.844341 O\n0.846466 0.690640 0.344341 O\n0.153534 0.309360 0.655659 O\n0.627451 0.799311 0.169146 O\n0.372549 0.200689 0.830854 O\n0.200689 0.372549 0.330854 O\n0.799311 0.627451 0.669146 O\n0.302266 0.813051 0.073071 O\n0.697734 0.186949 0.926929 O\n0.186949 0.697734 0.426929 O\n0.813051 0.302266 0.573071 O\n0.811208 0.035220 0.162762 O\n0.188792 0.964780 0.837238 O\n0.964780 0.188792 0.337238 O\n0.035220 0.811208 0.662762 O\n0.738188 0.995873 0.562832 O\n0.261812 0.004127 0.437168 O\n0.004127 0.261812 0.937168 O\n0.995873 0.738188 0.062832 O\n",
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"formula_full": "Cd2 Ni2 P8 O24",
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{
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"created_at": "2022-09-04T14:39:06.389168Z",
"structure_string": "Gd4 Cr4 O12\n1.0\n5.378698 0.000000 0.000000\n0.000000 5.627631 0.000000\n0.000000 0.000000 7.724832\nGd Cr O\n4 4 12\ndirect\n0.016748 0.937811 0.750000 Gd\n0.516748 0.562189 0.250000 Gd\n0.483252 0.437811 0.750000 Gd\n0.983252 0.062189 0.250000 Gd\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.696519 0.300208 0.445637 O\n0.196519 0.199792 0.554363 O\n0.803481 0.800208 0.054363 O\n0.303481 0.699792 0.945637 O\n0.303481 0.699792 0.554363 O\n0.803481 0.800208 0.445637 O\n0.196519 0.199792 0.945637 O\n0.696519 0.300208 0.054363 O\n0.104763 0.464155 0.250000 O\n0.604763 0.035845 0.750000 O\n0.395237 0.964155 0.250000 O\n0.895237 0.535845 0.750000 O\n",
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{
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{
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"structure_string": "Li4 Nd2 P2 C2 O14\n1.0\n6.918648 0.000000 0.000000\n0.000000 4.993015 0.000000\n0.000000 0.510368 9.270096\nLi Nd P C O\n4 2 2 2 14\ndirect\n0.526458 0.792023 0.803469 Li\n0.973542 0.792023 0.803469 Li\n0.473542 0.207977 0.196531 Li\n0.026458 0.207977 0.196531 Li\n0.250000 0.256674 0.624537 Nd\n0.750000 0.743326 0.375463 Nd\n0.750000 0.259343 0.602596 P\n0.250000 0.740657 0.397404 P\n0.250000 0.259325 0.931507 C\n0.750000 0.740675 0.068493 C\n0.750000 0.722748 0.932150 O\n0.250000 0.029876 0.869916 O\n0.250000 0.477066 0.843058 O\n0.931775 0.115835 0.665028 O\n0.568225 0.115835 0.665028 O\n0.250000 0.757047 0.566540 O\n0.750000 0.563541 0.628243 O\n0.250000 0.436459 0.371757 O\n0.750000 0.242953 0.433460 O\n0.431775 0.884165 0.334972 O\n0.068225 0.884165 0.334972 O\n0.750000 0.522934 0.156942 O\n0.750000 0.970124 0.130084 O\n0.250000 0.277252 0.067850 O\n",
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{
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{
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{
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"structure_string": "In8 Bi12 Se28 I4\n1.0\n4.204902 0.000000 0.000000\n0.000000 13.711679 0.000000\n0.000000 0.000000 27.326821\nIn Bi Se I\n8 12 28 4\ndirect\n0.250000 0.915689 0.533774 In\n0.250000 0.584311 0.033774 In\n0.750000 0.084311 0.466226 In\n0.750000 0.415689 0.966226 In\n0.250000 0.958528 0.947299 In\n0.250000 0.541472 0.447299 In\n0.750000 0.041472 0.052701 In\n0.750000 0.458528 0.552701 In\n0.250000 0.074207 0.685961 Bi\n0.250000 0.425793 0.185961 Bi\n0.750000 0.925793 0.314039 Bi\n0.750000 0.574207 0.814039 Bi\n0.250000 0.449425 0.692038 Bi\n0.250000 0.050575 0.192038 Bi\n0.750000 0.550575 0.307962 Bi\n0.750000 0.949425 0.807962 Bi\n0.250000 0.296614 0.843663 Bi\n0.250000 0.203386 0.343663 Bi\n0.750000 0.703386 0.156337 Bi\n0.750000 0.796614 0.656337 Bi\n0.250000 0.379058 0.509776 Se\n0.250000 0.120942 0.009776 Se\n0.750000 0.620942 0.490224 Se\n0.750000 0.879058 0.990224 Se\n0.250000 0.110440 0.527134 Se\n0.250000 0.389560 0.027134 Se\n0.750000 0.889560 0.472866 Se\n0.750000 0.610440 0.972866 Se\n0.250000 0.753907 0.587981 Se\n0.250000 0.746093 0.087981 Se\n0.750000 0.246093 0.412019 Se\n0.750000 0.253907 0.912019 Se\n0.250000 0.891693 0.731254 Se\n0.250000 0.608307 0.231254 Se\n0.750000 0.108307 0.268746 Se\n0.750000 0.391693 0.768746 Se\n0.250000 0.625568 0.742048 Se\n0.250000 0.874432 0.242048 Se\n0.750000 0.374432 0.257952 Se\n0.750000 0.125568 0.757952 Se\n0.250000 0.049751 0.863205 Se\n0.250000 0.450249 0.363205 Se\n0.750000 0.950249 0.136795 Se\n0.750000 0.549751 0.636795 Se\n0.250000 0.483663 0.878595 Se\n0.250000 0.016337 0.378595 Se\n0.750000 0.516337 0.121405 Se\n0.750000 0.983663 0.621405 Se\n0.250000 0.766492 0.866122 I\n0.250000 0.733508 0.366122 I\n0.750000 0.233508 0.133878 I\n0.750000 0.266492 0.633878 I\n",
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{
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"structure_string": "K8 Na16 Zn4 Sn8\n1.0\n10.044929 0.000000 0.000000\n0.000000 11.484170 0.000000\n0.000000 5.739801 10.185190\nK Na Zn Sn\n8 16 4 8\ndirect\n0.607898 0.703288 0.176685 K\n0.392102 0.296712 0.823315 K\n0.107898 0.796712 0.823315 K\n0.892102 0.203288 0.176685 K\n0.967136 0.816668 0.144867 K\n0.032864 0.183332 0.855133 K\n0.467136 0.683332 0.855133 K\n0.532864 0.316668 0.144867 K\n0.840338 0.576126 0.489816 Na\n0.159662 0.423874 0.510184 Na\n0.340338 0.923874 0.510184 Na\n0.659662 0.076126 0.489816 Na\n0.822489 0.572840 0.007186 Na\n0.177511 0.427160 0.992814 Na\n0.322489 0.927160 0.992814 Na\n0.677511 0.072840 0.007186 Na\n0.524580 0.622044 0.575952 Na\n0.475420 0.377956 0.424048 Na\n0.024580 0.877956 0.424048 Na\n0.975420 0.122044 0.575952 Na\n0.777803 0.761502 0.668023 Na\n0.222197 0.238498 0.331977 Na\n0.277803 0.738498 0.331977 Na\n0.722197 0.261502 0.668023 Na\n0.464678 0.987953 0.243465 Zn\n0.535322 0.012047 0.756535 Zn\n0.964678 0.512047 0.756535 Zn\n0.035322 0.487953 0.243465 Zn\n0.275619 0.576932 0.161500 Sn\n0.724381 0.423068 0.838500 Sn\n0.775619 0.923068 0.838500 Sn\n0.224381 0.076932 0.161500 Sn\n0.691682 0.885333 0.352129 Sn\n0.308318 0.114667 0.647871 Sn\n0.191682 0.614667 0.647871 Sn\n0.808318 0.385333 0.352129 Sn\n",
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}