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{
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{
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"formula_full": "Al4 H60 N24 F24",
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{
"id": "mp-18230",
"created_at": "2022-09-04T14:42:58.913282Z",
"structure_string": "Si2 Hg8 Se12\n1.0\n3.811701 6.612479 0.000000\n-3.811701 6.612479 0.000000\n0.000000 4.522241 12.384416\nSi Hg Se\n2 8 12\ndirect\n0.677711 0.140051 0.397033 Si\n0.140051 0.677711 0.897033 Si\n0.275110 0.673842 0.308998 Hg\n0.673842 0.275110 0.808998 Hg\n0.795670 0.897620 0.154789 Hg\n0.897620 0.795670 0.654789 Hg\n0.547311 0.772583 0.958460 Hg\n0.772583 0.547311 0.458460 Hg\n0.081623 0.270654 0.142376 Hg\n0.270654 0.081623 0.642376 Hg\n0.542791 0.030712 0.767967 Se\n0.030712 0.542791 0.267967 Se\n0.992090 0.971378 0.446751 Se\n0.971378 0.992090 0.946751 Se\n0.970353 0.481093 0.945383 Se\n0.481093 0.970353 0.445383 Se\n0.707805 0.250905 0.213381 Se\n0.250905 0.707805 0.713381 Se\n0.423327 0.908622 0.147796 Se\n0.908622 0.423327 0.647796 Se\n0.479215 0.429135 0.476565 Se\n0.429135 0.479215 0.976565 Se\n",
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{
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"structure_string": "K3 In1 F6\n1.0\n0.000000 4.616260 4.616260\n4.616260 0.000000 4.616260\n4.616260 4.616260 0.000000\nK In F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 In\n0.772478 0.227522 0.227522 F\n0.227522 0.227522 0.772478 F\n0.227522 0.772478 0.772478 F\n0.227522 0.772478 0.227522 F\n0.772478 0.227522 0.772478 F\n0.772478 0.772478 0.227522 F\n",
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{
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"structure_string": "Zr2 Tl2 Cd2 F14\n1.0\n3.471825 -5.664092 0.000000\n3.471825 5.664092 0.000000\n0.000000 0.000000 8.651345\nZr Tl Cd F\n2 2 2 14\ndirect\n0.191309 0.808691 0.750000 Zr\n0.808691 0.191309 0.250000 Zr\n0.500000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.807988 0.192012 0.750000 Cd\n0.192011 0.807988 0.250000 Cd\n0.799064 0.200936 0.486348 F\n0.845057 0.563840 0.750000 F\n0.436160 0.154943 0.750000 F\n0.154943 0.436160 0.250000 F\n0.799064 0.200936 0.013652 F\n0.200936 0.799064 0.513652 F\n0.830148 0.523334 0.250000 F\n0.476666 0.169852 0.250000 F\n0.563840 0.845057 0.250000 F\n0.523334 0.830148 0.750000 F\n0.200936 0.799064 0.986348 F\n0.169852 0.476666 0.750000 F\n0.009395 0.990605 0.750000 F\n0.990605 0.009395 0.250000 F\n",
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{
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"structure_string": "Th4 Se4 I8 O56\n1.0\n8.755942 0.000000 0.000000\n0.000000 8.369917 0.000000\n0.000000 2.424036 19.313532\nTh Se I O\n4 4 8 56\ndirect\n0.940286 0.109853 0.377334 Th\n0.559714 0.109853 0.877334 Th\n0.059714 0.890147 0.622666 Th\n0.440286 0.890147 0.122666 Th\n0.814643 0.944280 0.216309 Se\n0.685357 0.944280 0.716309 Se\n0.185357 0.055720 0.783691 Se\n0.314643 0.055720 0.283691 Se\n0.717255 0.758014 0.496379 I\n0.782745 0.758014 0.996379 I\n0.282745 0.241986 0.503621 I\n0.217255 0.241986 0.003621 I\n0.240323 0.774104 0.457207 I\n0.259677 0.774104 0.957207 I\n0.759677 0.225896 0.542793 I\n0.740323 0.225896 0.042793 I\n0.736918 0.962843 0.452025 O\n0.763082 0.962843 0.952025 O\n0.263082 0.037157 0.547975 O\n0.236918 0.037157 0.047975 O\n0.838709 0.767246 0.571200 O\n0.661291 0.767246 0.071200 O\n0.161291 0.232754 0.428800 O\n0.338709 0.232754 0.928800 O\n0.525782 0.739184 0.527979 O\n0.974218 0.739184 0.027979 O\n0.474218 0.260816 0.472021 O\n0.025782 0.260816 0.972021 O\n0.057951 0.879762 0.425719 O\n0.442049 0.879762 0.925719 O\n0.942049 0.120238 0.574281 O\n0.557951 0.120238 0.074281 O\n0.161900 0.726285 0.547292 O\n0.338100 0.726285 0.047292 O\n0.838100 0.273715 0.452708 O\n0.661900 0.273715 0.952708 O\n0.227334 0.584739 0.425124 O\n0.272666 0.584739 0.925124 O\n0.772666 0.415261 0.574876 O\n0.727334 0.415261 0.074876 O\n0.796582 0.043375 0.288308 O\n0.703418 0.043375 0.788308 O\n0.203418 0.956625 0.711692 O\n0.296582 0.956625 0.211692 O\n0.630729 0.886574 0.202607 O\n0.869271 0.886574 0.702607 O\n0.369271 0.113426 0.797393 O\n0.130729 0.113426 0.297393 O\n0.924844 0.788449 0.234181 O\n0.575156 0.788449 0.734181 O\n0.075156 0.211551 0.765819 O\n0.424844 0.211551 0.265819 O\n0.867088 0.078951 0.150316 O\n0.632912 0.078951 0.650316 O\n0.132912 0.921049 0.849684 O\n0.367088 0.921049 0.349684 O\n0.914817 0.409069 0.306722 O\n0.585183 0.409069 0.806722 O\n0.085183 0.590931 0.693278 O\n0.414817 0.590931 0.193278 O\n0.773848 0.462755 0.306735 O\n0.726152 0.462755 0.806735 O\n0.226152 0.537245 0.693265 O\n0.273848 0.537245 0.193265 O\n0.673766 0.364742 0.333663 O\n0.826234 0.364742 0.833663 O\n0.326234 0.635258 0.666337 O\n0.173766 0.635258 0.166337 O\n0.766318 0.622327 0.436911 O\n0.733682 0.622327 0.936911 O\n0.233682 0.377673 0.563089 O\n0.266318 0.377673 0.063089 O\n",
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{
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"structure_string": "K2 Pr1 Cu1 F6\n1.0\n6.421510 -0.000000 -0.000000\n3.210755 5.561191 -0.000000\n3.210755 1.853730 5.243141\nK Pr Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Cu\n0.247935 0.752065 0.247935 F\n0.752065 0.752065 0.247935 F\n0.752065 0.247935 0.752065 F\n0.752065 0.247935 0.247935 F\n0.247935 0.752065 0.752065 F\n0.247935 0.247935 0.752065 F\n",
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{
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