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{
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{
"id": "mp-1185370",
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{
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{
"id": "mp-667363",
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"structure_string": "Al24 P24 O96\n1.0\n8.635856 0.000000 0.000000\n0.000000 14.020491 0.000000\n0.000000 0.000000 24.369453\nAl P O\n24 24 96\ndirect\n0.998403 0.207335 0.666912 Al\n0.012631 0.393746 0.061523 Al\n0.999146 0.889446 0.773930 Al\n0.003770 0.291213 0.831062 Al\n0.488474 0.895920 0.439249 Al\n0.009708 0.393314 0.274442 Al\n0.503770 0.291213 0.168938 Al\n0.498403 0.792665 0.666912 Al\n0.999146 0.110554 0.226070 Al\n0.512631 0.606254 0.061523 Al\n0.499146 0.110554 0.773930 Al\n0.509708 0.393314 0.725558 Al\n0.509708 0.606686 0.274442 Al\n0.998403 0.792665 0.333088 Al\n0.988474 0.104080 0.439249 Al\n0.498403 0.207335 0.333088 Al\n0.009708 0.606686 0.725558 Al\n0.012631 0.606254 0.938477 Al\n0.003770 0.708787 0.168938 Al\n0.499146 0.889446 0.226070 Al\n0.512631 0.393746 0.938477 Al\n0.503770 0.708787 0.831062 Al\n0.988474 0.895920 0.560751 Al\n0.488474 0.104080 0.560751 Al\n0.125135 0.209102 0.335781 P\n0.133330 0.390171 0.938018 P\n0.121315 0.103742 0.775296 P\n0.133330 0.609829 0.061982 P\n0.615058 0.892787 0.560422 P\n0.625135 0.209102 0.664219 P\n0.621315 0.896258 0.775296 P\n0.131656 0.706069 0.831728 P\n0.636722 0.392000 0.275271 P\n0.633330 0.609829 0.938018 P\n0.121315 0.896258 0.224704 P\n0.615058 0.107213 0.439578 P\n0.131656 0.293931 0.168272 P\n0.125135 0.790898 0.664219 P\n0.115058 0.107213 0.560422 P\n0.631656 0.706069 0.168272 P\n0.625135 0.790898 0.335781 P\n0.631656 0.293931 0.831728 P\n0.633330 0.390171 0.061982 P\n0.115058 0.892787 0.439578 P\n0.136722 0.392000 0.724729 P\n0.636722 0.608000 0.724729 P\n0.136722 0.608000 0.275271 P\n0.621315 0.103742 0.224704 P\n0.577004 0.814609 0.602347 O\n0.546661 0.011462 0.420581 O\n0.604355 0.633993 0.785151 O\n0.104355 0.366007 0.785151 O\n0.596713 0.685019 0.107932 O\n0.561154 0.317878 0.101829 O\n0.078099 0.491038 0.922950 O\n0.047972 0.323676 0.686552 O\n0.805421 0.308480 0.820444 O\n0.601073 0.685682 0.319876 O\n0.051435 0.138170 0.504411 O\n0.077004 0.185391 0.602347 O\n0.101073 0.314318 0.319876 O\n0.790063 0.096267 0.444037 O\n0.070554 0.127300 0.716217 O\n0.050466 0.857131 0.707164 O\n0.101073 0.685682 0.680124 O\n0.046661 0.011462 0.579419 O\n0.039877 0.636579 0.794955 O\n0.798062 0.886308 0.779770 O\n0.577004 0.185391 0.397653 O\n0.547972 0.323676 0.313448 O\n0.539877 0.636579 0.205045 O\n0.551435 0.138170 0.495589 O\n0.570554 0.872700 0.716217 O\n0.044407 0.828847 0.183054 O\n0.550466 0.857131 0.292836 O\n0.544407 0.828847 0.816946 O\n0.050257 0.810403 0.608355 O\n0.604355 0.366007 0.214849 O\n0.047972 0.676324 0.313448 O\n0.305421 0.308480 0.179556 O\n0.298062 0.886308 0.220230 O\n0.298062 0.113692 0.779770 O\n0.790063 0.903733 0.555963 O\n0.077004 0.814609 0.397653 O\n0.046661 0.988538 0.420581 O\n0.546661 0.988538 0.579419 O\n0.585863 0.190097 0.820067 O\n0.081165 0.637184 0.003632 O\n0.310717 0.387025 0.934126 O\n0.550257 0.810403 0.391645 O\n0.810988 0.384859 0.286462 O\n0.078099 0.508962 0.077050 O\n0.810717 0.387025 0.065874 O\n0.085863 0.809903 0.820067 O\n0.539877 0.363421 0.794955 O\n0.050466 0.142869 0.292836 O\n0.550257 0.189597 0.608355 O\n0.096713 0.314981 0.107932 O\n0.072207 0.001819 0.789824 O\n0.290063 0.096267 0.555963 O\n0.083815 0.506017 0.288096 O\n0.547972 0.676324 0.686552 O\n0.083815 0.493983 0.711904 O\n0.310988 0.384859 0.713538 O\n0.805421 0.691520 0.179556 O\n0.061154 0.317878 0.898171 O\n0.039877 0.363421 0.205045 O\n0.299325 0.811513 0.661226 O\n0.050257 0.189597 0.391645 O\n0.810717 0.612975 0.934126 O\n0.578099 0.491038 0.077050 O\n0.310717 0.612975 0.065874 O\n0.070554 0.872700 0.283783 O\n0.072207 0.998181 0.210176 O\n0.578099 0.508962 0.922950 O\n0.601073 0.314318 0.680124 O\n0.798062 0.113692 0.220230 O\n0.051435 0.861830 0.495589 O\n0.561154 0.682122 0.898171 O\n0.550466 0.142869 0.707164 O\n0.085863 0.190097 0.179933 O\n0.596713 0.314981 0.892068 O\n0.581165 0.362816 0.003632 O\n0.299325 0.188487 0.338774 O\n0.310988 0.615141 0.286462 O\n0.572207 0.001819 0.210176 O\n0.570554 0.127300 0.283783 O\n0.061154 0.682122 0.101829 O\n0.583815 0.506017 0.711904 O\n0.799325 0.811513 0.338774 O\n0.572207 0.998181 0.789824 O\n0.081165 0.362816 0.996368 O\n0.810988 0.615141 0.713538 O\n0.585863 0.809903 0.179933 O\n0.290063 0.903733 0.444037 O\n0.104355 0.633993 0.214849 O\n0.096713 0.685019 0.892068 O\n0.551435 0.861830 0.504411 O\n0.583815 0.493983 0.288096 O\n0.305421 0.691520 0.820444 O\n0.044407 0.171153 0.816946 O\n0.544407 0.171153 0.183054 O\n0.581165 0.637184 0.996368 O\n0.799325 0.188487 0.661226 O\n",
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{
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"structure_string": "Hg20\n1.0\n8.609921 0.000000 0.000000\n0.000000 8.609921 0.000000\n0.000000 0.000000 8.609921\nHg\n20\ndirect\n0.375000 0.204859 0.545141 Hg\n0.560878 0.560878 0.560878 Hg\n0.704859 0.954859 0.625000 Hg\n0.310878 0.810878 0.689122 Hg\n0.954859 0.625000 0.704859 Hg\n0.045141 0.125000 0.795141 Hg\n0.689122 0.310878 0.810878 Hg\n0.295141 0.454859 0.875000 Hg\n0.439122 0.060878 0.939122 Hg\n0.625000 0.704859 0.954859 Hg\n0.125000 0.795141 0.045141 Hg\n0.939122 0.439122 0.060878 Hg\n0.795141 0.045141 0.125000 Hg\n0.189122 0.189122 0.189122 Hg\n0.545141 0.375000 0.204859 Hg\n0.454859 0.875000 0.295141 Hg\n0.810878 0.689122 0.310878 Hg\n0.204859 0.545141 0.375000 Hg\n0.060878 0.939122 0.439122 Hg\n0.875000 0.295141 0.454859 Hg\n",
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{
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"structure_string": "Zn20 Si8 N24\n1.0\n11.262633 0.000000 0.000000\n0.000000 11.262633 0.000000\n0.000000 0.000000 5.658459\nZn Si N\n20 8 24\ndirect\n0.229404 0.097763 0.915186 Zn\n0.270596 0.597763 0.915186 Zn\n0.770596 0.902237 0.915186 Zn\n0.729404 0.402237 0.915186 Zn\n0.902237 0.229404 0.084814 Zn\n0.597763 0.729404 0.084814 Zn\n0.097763 0.770596 0.084814 Zn\n0.402237 0.270596 0.084814 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.439809 0.313477 0.598389 Zn\n0.060191 0.813477 0.598389 Zn\n0.560191 0.686523 0.598389 Zn\n0.939809 0.186523 0.598389 Zn\n0.686523 0.439809 0.401611 Zn\n0.813477 0.939809 0.401611 Zn\n0.313477 0.560191 0.401611 Zn\n0.186523 0.060191 0.401611 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.619405 0.209657 0.753486 Si\n0.880595 0.709657 0.753486 Si\n0.380595 0.790343 0.753486 Si\n0.119405 0.290343 0.753486 Si\n0.790343 0.619405 0.246514 Si\n0.709657 0.119405 0.246514 Si\n0.209657 0.380595 0.246514 Si\n0.290343 0.880595 0.246514 Si\n0.474220 0.177668 0.844534 N\n0.025780 0.677668 0.844534 N\n0.525780 0.822332 0.844534 N\n0.974220 0.322332 0.844534 N\n0.822332 0.474220 0.155466 N\n0.677668 0.974220 0.155466 N\n0.177668 0.525780 0.155466 N\n0.322332 0.025780 0.155466 N\n0.621296 0.359324 0.661375 N\n0.878704 0.859324 0.661375 N\n0.378704 0.640676 0.661375 N\n0.121296 0.140676 0.661375 N\n0.640676 0.621296 0.338625 N\n0.859324 0.121296 0.338625 N\n0.359324 0.378704 0.338625 N\n0.140676 0.878704 0.338625 N\n0.212452 0.287548 0.000000 N\n0.287548 0.787548 0.000000 N\n0.787548 0.712452 0.000000 N\n0.712452 0.212452 0.000000 N\n0.621401 0.121401 0.500000 N\n0.878599 0.621401 0.500000 N\n0.378599 0.878599 0.500000 N\n0.121401 0.378599 0.500000 N\n",
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{
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"structure_string": "K6 Al2 O6\n1.0\n5.601468 3.517239 0.000000\n-5.601468 3.517239 0.000000\n0.000000 1.425500 6.404179\nK Al O\n6 2 6\ndirect\n0.371720 0.371720 0.351359 K\n0.628280 0.628280 0.648641 K\n0.198619 0.801381 0.500000 K\n0.801381 0.198620 0.500000 K\n0.264400 0.735600 0.000000 K\n0.735600 0.264400 0.000000 K\n0.838719 0.838719 0.146173 Al\n0.161281 0.161281 0.853827 Al\n0.848804 0.588200 0.262127 O\n0.411800 0.151196 0.737873 O\n0.151196 0.411800 0.737873 O\n0.588200 0.848804 0.262127 O\n0.898282 0.898282 0.857222 O\n0.101718 0.101718 0.142778 O\n",
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"formula_full": "K6 Al2 O6",
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{
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"structure_string": "Cd4 In4 Br12\n1.0\n4.199104 0.000000 0.000000\n0.000000 9.600932 0.000000\n0.000000 0.000000 15.681056\nCd In Br\n4 4 12\ndirect\n0.750000 0.332924 0.056343 Cd\n0.250000 0.667076 0.943657 Cd\n0.750000 0.832924 0.443657 Cd\n0.250000 0.167076 0.556343 Cd\n0.750000 0.058478 0.822287 In\n0.250000 0.941522 0.177713 In\n0.750000 0.558478 0.677713 In\n0.250000 0.441522 0.322287 In\n0.750000 0.834090 0.005734 Br\n0.250000 0.165910 0.994266 Br\n0.750000 0.334090 0.494266 Br\n0.250000 0.665910 0.505734 Br\n0.750000 0.212075 0.213277 Br\n0.250000 0.787925 0.786723 Br\n0.750000 0.712075 0.286723 Br\n0.250000 0.287925 0.713277 Br\n0.750000 0.477540 0.896374 Br\n0.250000 0.522460 0.103626 Br\n0.750000 0.977540 0.603626 Br\n0.250000 0.022460 0.396374 Br\n",
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"formula_full": "Cd4 In4 Br12",
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{
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