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{
"id": "jvasp-108592",
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"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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{
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"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",
"nsites": 24,
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"elements": [
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{
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"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-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",
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"elements": [
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"density_atomic": 0.022171492177546076,
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"volume_molar": 27.161639423163653,
"formula_full": "Rb2 Pr1 Ag1 I6",
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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",
"nsites": 10,
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"elements": [
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"density": 4.307015347273301,
"density_atomic": 0.04859914154807597,
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"formula_full": "Rb2 Pr1 Ag1 F6",
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{
"id": "jvasp-103195",
"created_at": "2022-09-04T14:38:39.613463Z",
"updated_at": "2022-09-04T14:38:39.613496Z",
"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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{
"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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"created_at": "2022-09-04T14:37:29.983219Z",
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"structure_string": "Rb2 Pd1 I2 Br4\n1.0\n6.829511 0.007271 -2.675316\n-3.652567 6.043290 -1.984185\n0.004394 -0.007271 7.334816\nRb Pd I Br\n2 1 2 4\ndirect\n0.499999 0.250000 0.750000 Rb\n0.499999 0.750000 0.250000 Rb\n0.000000 0.000000 0.000000 Pd\n-0.000000 0.332001 0.332001 I\n-0.000001 0.667999 0.668000 I\n-0.000001 0.787829 0.212172 Br\n0.575656 0.787829 0.787829 Br\n-0.000001 0.212171 0.787829 Br\n0.424343 0.212171 0.212171 Br\n",
"nsites": 9,
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],
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{
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"structure_string": "Rb2 Pd1 Au1 F6\n1.0\n5.373507 -0.000000 3.102396\n1.791169 5.066191 3.102396\n-0.000000 -0.000000 6.204792\nRb Pd Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Au\n0.239031 0.239030 0.760970 F\n0.239031 0.760969 0.760970 F\n0.760970 0.760969 0.239031 F\n0.239031 0.760969 0.239031 F\n0.760970 0.239030 0.760970 F\n0.760970 0.239030 0.239031 F\n",
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{
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"structure_string": "Rb2 Pb2 I2 O12\n1.0\n2.772394 -4.801929 -0.000000\n2.772394 4.801929 0.000000\n0.000000 -0.000000 12.262958\nRb Pb I O\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.666666 0.333332 0.250000 Pb\n0.333332 0.666666 0.750000 Pb\n0.333332 0.666666 0.250000 I\n0.666666 0.333332 0.750000 I\n0.039187 0.638911 0.157968 O\n0.638910 0.599723 0.657968 O\n0.599722 0.960811 0.157968 O\n0.039187 0.400276 0.342032 O\n0.960812 0.361088 0.657968 O\n0.400276 0.361088 0.842032 O\n0.638911 0.039187 0.842032 O\n0.361088 0.400276 0.157968 O\n0.960811 0.599722 0.842032 O\n0.400276 0.039187 0.657968 O\n0.599723 0.638910 0.342032 O\n0.361088 0.960812 0.342032 O\n",
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{
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"structure_string": "Rb4 P4 Pb4 S16\n1.0\n6.512040 0.000000 0.000000\n0.000000 6.749466 0.000000\n0.000000 0.000000 17.177215\nRb P Pb S\n4 4 4 16\ndirect\n0.006652 0.004970 0.042111 Rb\n0.506652 0.495030 0.957889 Rb\n0.993348 0.504970 0.457889 Rb\n0.493348 0.995031 0.542111 Rb\n0.221038 0.011281 0.347475 P\n0.278962 0.988720 0.847476 P\n0.721038 0.488719 0.652525 P\n0.778962 0.511281 0.152525 P\n0.213678 0.524132 0.728972 Pb\n0.713678 0.975869 0.271028 Pb\n0.786322 0.024132 0.771029 Pb\n0.286322 0.475868 0.228972 Pb\n0.461800 0.492624 0.584854 S\n0.389907 0.758228 0.367277 S\n0.849740 0.533074 0.270313 S\n0.594716 0.749267 0.126118 S\n0.094716 0.750734 0.873882 S\n0.650260 0.466927 0.770313 S\n0.110093 0.241773 0.867277 S\n0.150260 0.033073 0.229687 S\n0.961800 0.007376 0.415146 S\n0.889907 0.741773 0.632723 S\n0.905284 0.250734 0.626119 S\n0.405284 0.249266 0.373882 S\n0.538199 0.992625 0.915146 S\n0.349740 0.966927 0.729687 S\n0.038200 0.507376 0.084854 S\n0.610093 0.258228 0.132723 S\n",
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}
]
}