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{
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{
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{
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{
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"structure_string": "Na2 H1 F4\n1.0\n3.588134 0.000000 0.000000\n0.000000 4.792357 0.000000\n0.000000 2.104317 5.620835\nNa H F\n2 1 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 H\n0.000000 0.844381 0.424785 F\n0.500000 0.327957 0.907763 F\n0.500000 0.672043 0.092237 F\n0.000000 0.155619 0.575215 F\n",
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{
"id": "mp-569787",
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{
"id": "mp-677017",
"created_at": "2022-09-04T14:41:09.441875Z",
"structure_string": "K1 Rb5 Zn4 Sn5 S17\n1.0\n10.074008 0.000000 0.000000\n-4.988768 -9.968685 0.000000\n-5.017828 0.021610 -9.976304\nK Rb Zn Sn S\n1 5 4 5 17\ndirect\n0.249106 0.499539 0.499037 K\n0.499493 0.016257 0.490546 Rb\n0.507057 0.497878 0.016232 Rb\n0.993224 0.499850 0.987025 Rb\n0.993028 0.985802 0.495316 Rb\n0.879482 0.959145 0.864415 Rb\n0.882706 0.638594 0.361686 Zn\n0.883868 0.363458 0.637808 Zn\n0.478238 0.361280 0.360848 Zn\n0.753913 0.635734 0.636541 Zn\n0.501756 0.001814 0.003254 Sn\n0.192580 0.722010 0.721218 Sn\n0.528381 0.276408 0.721373 Sn\n0.530404 0.722088 0.277519 Sn\n0.747006 0.278333 0.279297 Sn\n0.490278 0.855561 0.856884 S\n0.158896 0.493484 0.775326 S\n0.158684 0.774789 0.493110 S\n0.756988 0.221871 0.779148 S\n0.756102 0.779832 0.221494 S\n0.749538 0.499278 0.498854 S\n0.022319 0.778145 0.778438 S\n0.334396 0.225801 0.492499 S\n0.334663 0.493278 0.227083 S\n0.616463 0.506494 0.774328 S\n0.616657 0.774719 0.508538 S\n0.365296 0.854581 0.144820 S\n0.365051 0.144207 0.855000 S\n0.780234 0.146046 0.146158 S\n0.892417 0.506512 0.227594 S\n0.891536 0.225021 0.508490 S\n0.464938 0.220190 0.220121 S\n",
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{
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"structure_string": "Cs16 Ge4 P16 Se48\n1.0\n7.994140 0.000000 0.000000\n0.000000 15.072072 0.000000\n0.000000 0.000000 25.334517\nCs Ge P Se\n16 4 16 48\ndirect\n0.728945 0.536689 0.941154 Cs\n0.271055 0.463311 0.441154 Cs\n0.728945 0.963311 0.441154 Cs\n0.271055 0.036689 0.941154 Cs\n0.769324 0.875364 0.834655 Cs\n0.230676 0.124636 0.334655 Cs\n0.769324 0.624636 0.334655 Cs\n0.230676 0.375364 0.834655 Cs\n0.784190 0.175807 0.711202 Cs\n0.215810 0.824193 0.211202 Cs\n0.784190 0.324193 0.211202 Cs\n0.215810 0.675807 0.711202 Cs\n0.817485 0.327798 0.563751 Cs\n0.182515 0.672202 0.063751 Cs\n0.817485 0.172202 0.063751 Cs\n0.182515 0.827798 0.563751 Cs\n0.671509 0.577134 0.633377 Ge\n0.328491 0.422866 0.133377 Ge\n0.671509 0.922866 0.133377 Ge\n0.328491 0.077134 0.633377 Ge\n0.726204 0.596471 0.776621 P\n0.273796 0.403529 0.276621 P\n0.726204 0.903529 0.276621 P\n0.273796 0.096471 0.776621 P\n0.226735 0.956088 0.743416 P\n0.773265 0.043912 0.243416 P\n0.226735 0.543912 0.243416 P\n0.773265 0.456088 0.743416 P\n0.830027 0.606862 0.500376 P\n0.169973 0.393138 0.000376 P\n0.830027 0.893138 0.000376 P\n0.169973 0.106862 0.500376 P\n0.615725 0.703448 0.520596 P\n0.384275 0.296552 0.020596 P\n0.615725 0.796552 0.020596 P\n0.384275 0.203448 0.520596 P\n0.489810 0.601830 0.817227 Se\n0.510190 0.398170 0.317227 Se\n0.489810 0.898170 0.317227 Se\n0.510190 0.101830 0.817227 Se\n0.945126 0.633336 0.821688 Se\n0.054874 0.366664 0.321688 Se\n0.945126 0.866664 0.321688 Se\n0.054874 0.133336 0.821688 Se\n0.725499 0.686196 0.700514 Se\n0.274501 0.313804 0.200514 Se\n0.725499 0.813804 0.200514 Se\n0.274501 0.186196 0.700514 Se\n0.286691 0.864022 0.805415 Se\n0.713309 0.135978 0.305415 Se\n0.286691 0.635978 0.305415 Se\n0.713309 0.364022 0.805415 Se\n0.986741 0.945853 0.704013 Se\n0.013259 0.054147 0.204013 Se\n0.986741 0.554147 0.204013 Se\n0.013259 0.445853 0.704013 Se\n0.433880 0.948827 0.678966 Se\n0.566120 0.051173 0.178966 Se\n0.433880 0.551173 0.178966 Se\n0.566120 0.448827 0.678966 Se\n0.929873 0.568644 0.584439 Se\n0.070127 0.431356 0.084439 Se\n0.929873 0.931356 0.084439 Se\n0.070127 0.068644 0.584439 Se\n0.741716 0.009876 0.959208 Se\n0.258284 0.990124 0.459208 Se\n0.741716 0.490124 0.459208 Se\n0.258284 0.509876 0.959208 Se\n0.974586 0.318046 0.962339 Se\n0.025414 0.681954 0.462339 Se\n0.974586 0.181954 0.462339 Se\n0.025414 0.818046 0.962339 Se\n0.451192 0.606528 0.571480 Se\n0.548808 0.393472 0.071480 Se\n0.451192 0.893472 0.071480 Se\n0.548808 0.106528 0.571480 Se\n0.483786 0.767601 0.948987 Se\n0.516214 0.232399 0.448987 Se\n0.483786 0.732399 0.448987 Se\n0.516214 0.267601 0.948987 Se\n0.701600 0.809784 0.571207 Se\n0.298400 0.190216 0.071207 Se\n0.701600 0.690216 0.071207 Se\n0.298400 0.309784 0.571207 Se\n",
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{
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{
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{
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"structure_string": "As4 Br4 O4 F32\n1.0\n8.880048 0.000000 0.000000\n0.000000 8.860144 0.000000\n0.000000 0.061491 8.886320\nAs Br O F\n4 4 4 32\ndirect\n0.635032 0.886014 0.636031 As\n0.864897 0.614680 0.134510 As\n0.364897 0.385320 0.865490 As\n0.135032 0.113986 0.363969 As\n0.779616 0.454095 0.696163 Br\n0.196313 0.970374 0.795800 Br\n0.696313 0.029626 0.204200 Br\n0.279616 0.545905 0.303837 Br\n0.715286 0.381165 0.547130 O\n0.047097 0.034606 0.869215 O\n0.547097 0.965394 0.130785 O\n0.215286 0.618835 0.452870 O\n0.641217 0.680917 0.620691 F\n0.880864 0.613506 0.934395 F\n0.569721 0.370013 0.859058 F\n0.361051 0.179365 0.878232 F\n0.122317 0.109696 0.568812 F\n0.434872 0.869448 0.637665 F\n0.861051 0.820635 0.121768 F\n0.622317 0.890304 0.431188 F\n0.934872 0.130552 0.362335 F\n0.141217 0.319083 0.379309 F\n0.380864 0.386494 0.065605 F\n0.069721 0.629987 0.140942 F\n0.622067 0.082623 0.638551 F\n0.861507 0.628606 0.330962 F\n0.168845 0.388391 0.877990 F\n0.379479 0.581613 0.859110 F\n0.140271 0.129343 0.168090 F\n0.831334 0.889190 0.621212 F\n0.879479 0.418387 0.140890 F\n0.640271 0.870657 0.831910 F\n0.331334 0.110810 0.378788 F\n0.122067 0.917377 0.361449 F\n0.361507 0.371394 0.669038 F\n0.668845 0.611609 0.122010 F\n0.954967 0.530649 0.635720 F\n0.873441 0.300000 0.784647 F\n0.284029 0.876093 0.949578 F\n0.135776 0.795187 0.720010 F\n0.784029 0.123907 0.050422 F\n0.635776 0.204813 0.279990 F\n0.454967 0.469351 0.364280 F\n0.373441 0.700000 0.215353 F\n",
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"formula_full": "As4 Br4 O4 F32",
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{
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"formula_full": "Cs1 F1",
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"updated_at": "2021-11-28T01:35:16.187000Z",
"spacegroup": 225
},
{
"id": "mp-753299",
"created_at": "2022-09-04T14:39:33.462401Z",
"structure_string": "Li4 Ag4 F8\n1.0\n3.187237 0.000000 0.000000\n0.000000 6.140297 0.000000\n0.000000 0.000000 11.487382\nLi Ag F\n4 4 8\ndirect\n0.250000 0.114318 0.571533 Li\n0.250000 0.385682 0.071533 Li\n0.750000 0.614318 0.928467 Li\n0.750000 0.885682 0.428467 Li\n0.250000 0.059705 0.866697 Ag\n0.250000 0.440295 0.366697 Ag\n0.750000 0.559705 0.633303 Ag\n0.750000 0.940295 0.133303 Ag\n0.750000 0.183789 0.481607 F\n0.250000 0.210187 0.200269 F\n0.250000 0.289813 0.700269 F\n0.750000 0.316211 0.981607 F\n0.250000 0.683789 0.018393 F\n0.750000 0.710187 0.299731 F\n0.750000 0.789813 0.799731 F\n0.250000 0.816211 0.518393 F\n",
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"volume": 224.81474897695503,
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"formula_full": "Li4 Ag4 F8",
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"updated_at": "2021-11-28T01:34:33.535000Z",
"spacegroup": 62
}
]
}