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{
"id": "jvasp-109886",
"created_at": "2022-09-04T14:38:09.216779Z",
"updated_at": "2022-09-04T14:38:09.216803Z",
"structure_string": "Rb2 Pr1 Ag1 Br6\n1.0\n6.966020 -0.000000 4.021834\n2.322007 6.567627 4.021834\n-0.000000 -0.000000 8.043667\nRb Pr Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.753165 0.246836 0.246835 Br\n0.246835 0.246836 0.753165 Br\n0.246836 0.753165 0.753164 Br\n0.246836 0.753165 0.246835 Br\n0.753165 0.246836 0.753164 Br\n0.753165 0.753165 0.246835 Br\n",
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{
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"structure_string": "Rb2 Pr1 Ag1 Cl6\n1.0\n6.633771 0.000000 3.830010\n2.211257 6.254379 3.830010\n0.000000 -0.000000 7.660019\nRb Pr Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.751936 0.248064 0.248064 Cl\n0.248064 0.248064 0.751936 Cl\n0.248065 0.751936 0.751936 Cl\n0.248065 0.751936 0.248064 Cl\n0.751936 0.248064 0.751936 Cl\n0.751936 0.751936 0.248064 Cl\n",
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{
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"created_at": "2022-09-04T14:36:52.661443Z",
"updated_at": "2022-09-04T14:36:52.661463Z",
"structure_string": "Rb2 Pr1 Ag1 F6\n1.0\n5.738866 -0.000000 3.313336\n1.912955 5.410655 3.313336\n-0.000000 -0.000000 6.626672\nRb Pr Ag F\n2 1 1 6\ndirect\n0.750001 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Pr\n0.500001 0.500000 0.500000 Ag\n0.756531 0.756531 0.243470 F\n0.756531 0.243470 0.243470 F\n0.243470 0.243470 0.756530 F\n0.756531 0.243470 0.756530 F\n0.243470 0.756531 0.243470 F\n0.243470 0.756531 0.756530 F\n",
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"formula_full": "Rb2 Pr1 Ag1 F6",
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{
"id": "jvasp-102408",
"created_at": "2022-09-04T14:36:43.926363Z",
"updated_at": "2022-09-04T14:36:43.926385Z",
"structure_string": "Rb2 Pr1 Ag1 I6\n1.0\n7.454823 -0.000000 4.304044\n2.484941 7.028474 4.304044\n-0.000000 -0.000000 8.608088\nRb Pr Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.754839 0.245161 0.245161 I\n0.245161 0.245161 0.754839 I\n0.245161 0.754839 0.754839 I\n0.245161 0.754839 0.245161 I\n0.754839 0.245161 0.754839 I\n0.754839 0.754839 0.245160 I\n",
"nsites": 10,
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],
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"density_atomic": 0.022171492177546076,
"volume": 451.0296339065255,
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"formula_full": "Rb2 Pr1 Ag1 I6",
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{
"id": "jvasp-106429",
"created_at": "2022-09-04T14:36:58.581918Z",
"updated_at": "2022-09-04T14:36:58.581936Z",
"structure_string": "Rb2 Pr1 Cu1 I6\n1.0\n7.285845 -0.000000 4.206485\n2.428615 6.869161 4.206485\n-0.000000 -0.000000 8.412969\nRb Pr Cu I\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 Pr\n0.000000 0.000000 0.000000 Cu\n0.760810 0.239191 0.239190 I\n0.239191 0.239191 0.760809 I\n0.239192 0.760809 0.760808 I\n0.239192 0.760809 0.239190 I\n0.760810 0.239191 0.760808 I\n0.760810 0.760809 0.239190 I\n",
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{
"id": "jvasp-57381",
"created_at": "2022-09-04T14:37:09.807062Z",
"updated_at": "2022-09-04T14:37:09.807072Z",
"structure_string": "Rb2 Pr2 Mo4 O16\n1.0\n6.336099 0.000000 0.000000\n0.000000 6.335769 0.000000\n0.000000 0.000000 9.670830\nRb Pr Mo O\n2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.500000 0.000000 0.250004 Mo\n0.000000 0.500000 0.750004 Mo\n0.000000 0.500000 0.249996 Mo\n0.500000 0.000000 0.749996 Mo\n0.882615 0.307888 0.639649 O\n0.617385 0.807888 0.139649 O\n0.617385 0.192112 0.860351 O\n0.807916 0.382594 0.139636 O\n0.882615 0.692112 0.360351 O\n0.307916 0.117406 0.639636 O\n0.117385 0.692112 0.639649 O\n0.307916 0.882594 0.360364 O\n0.807916 0.617406 0.860364 O\n0.117385 0.307888 0.360351 O\n0.692084 0.117406 0.360364 O\n0.692084 0.882594 0.639636 O\n0.382615 0.807888 0.860351 O\n0.192084 0.617406 0.139636 O\n0.192084 0.382594 0.860364 O\n0.382615 0.192112 0.139649 O\n",
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"elements": [
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],
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"density": 4.672894992291885,
"density_atomic": 0.06181960184762593,
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"formula_full": "Rb2 Pr2 Mo4 O16",
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{
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"created_at": "2022-09-04T14:36:34.543853Z",
"updated_at": "2022-09-04T14:36:34.543874Z",
"structure_string": "Rb2 Rh1 Au1 F6\n1.0\n5.379923 -0.000000 3.106100\n1.793308 5.072240 3.106100\n-0.000000 -0.000000 6.212200\nRb Rh Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Au\n0.230298 0.230298 0.769702 F\n0.230298 0.769702 0.769702 F\n0.769702 0.769702 0.230298 F\n0.230298 0.769702 0.230298 F\n0.769701 0.230298 0.769702 F\n0.769701 0.230298 0.230298 F\n",
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],
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"density": 5.72840556385125,
"density_atomic": 0.0589900434763441,
"volume": 169.52013273240172,
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"formula_full": "Rb2 Rh1 Au1 F6",
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{
"id": "jvasp-108592",
"created_at": "2022-09-04T14:38:19.656856Z",
"updated_at": "2022-09-04T14:38:19.656880Z",
"structure_string": "Rb2 Ru1 Au1 F6\n1.0\n5.416144 -0.000000 3.127012\n1.805381 5.106390 3.127012\n-0.000000 -0.000000 6.254025\nRb Ru Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 Ru\n0.499999 0.500000 0.499999 Au\n0.228770 0.228771 0.771229 F\n0.228770 0.771229 0.771229 F\n0.771229 0.771229 0.228770 F\n0.228770 0.771229 0.228770 F\n0.771229 0.228771 0.771229 F\n0.771229 0.228771 0.228770 F\n",
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{
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"updated_at": "2022-09-04T14:38:06.220423Z",
"structure_string": "Rb2 S1 Br1 Cl6\n1.0\n-0.000000 5.246253 5.246253\n5.246253 0.000000 5.246253\n5.246253 5.246253 -0.000000\nRb S Br Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 Br\n0.224325 0.775674 0.775674 Cl\n0.224325 0.775674 0.224325 Cl\n0.775674 0.224325 0.775674 Cl\n0.775674 0.775674 0.224325 Cl\n0.224325 0.224325 0.775674 Cl\n0.775674 0.224325 0.224325 Cl\n",
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{
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"created_at": "2022-09-04T14:37:56.847447Z",
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"structure_string": "Rb2 S1 Cl6 F1\n1.0\n-0.000000 4.927394 4.927394\n4.927394 0.000000 4.927394\n4.927394 4.927394 -0.000000\nRb S Cl F\n2 1 6 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.749999 0.749999 Rb\n0.000000 0.000000 0.000000 S\n0.234863 0.765136 0.765136 Cl\n0.234863 0.765136 0.234863 Cl\n0.765136 0.234863 0.765136 Cl\n0.765136 0.765136 0.234863 Cl\n0.234863 0.234863 0.765136 Cl\n0.765136 0.234863 0.234863 Cl\n0.500000 0.500000 0.500000 F\n",
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{
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"structure_string": "Rb4 S4 N2 O12\n1.0\n7.311946 0.099435 0.483811\n3.464633 6.439780 0.483811\n0.027724 0.016823 7.599310\nRb S N O\n4 4 2 12\ndirect\n0.294663 -0.009084 0.150538 Rb\n0.009084 0.705337 0.349462 Rb\n0.705337 0.009085 0.849462 Rb\n-0.009085 0.294663 0.650538 Rb\n0.778331 0.425681 0.142676 S\n0.574320 0.221669 0.357324 S\n0.221669 0.574319 0.857324 S\n0.425680 0.778331 0.642676 S\n0.562128 0.437872 0.250000 N\n0.437871 0.562128 0.750000 N\n0.631981 0.066610 0.222103 O\n0.933391 0.368020 0.277897 O\n0.637303 0.704783 0.567640 O\n0.295217 0.362696 0.932360 O\n0.362696 0.295218 0.432360 O\n0.848307 0.265770 0.010228 O\n0.265769 0.848307 0.510228 O\n0.151693 0.734230 -0.010228 O\n0.734230 0.151693 0.489772 O\n0.066609 0.631980 0.722103 O\n0.704782 0.637304 0.067640 O\n0.368019 0.933391 0.777897 O\n",
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{
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"structure_string": "Rb2 S2 O4 F2\n1.0\n0.000000 4.812394 -0.079858\n5.835008 0.000000 0.000000\n0.000000 -2.112173 -6.675416\nRb S O F\n2 2 4 2\ndirect\n0.840307 0.750000 0.718126 Rb\n0.159693 0.250000 0.281875 Rb\n0.600988 0.750000 0.176525 S\n0.399012 0.250000 0.823476 S\n0.669326 0.541329 0.298926 O\n0.330674 0.041329 0.701075 O\n0.330674 0.458671 0.701075 O\n0.669326 0.958672 0.298926 O\n0.802418 0.250000 0.869947 F\n0.197582 0.750000 0.130054 F\n",
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}
]
}