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{
"id": "jvasp-107866",
"created_at": "2022-09-04T14:36:37.248923Z",
"updated_at": "2022-09-04T14:36:37.248948Z",
"structure_string": "Rb2 Al1 Tl1 Cl6\n1.0\n6.509881 -0.000000 3.758481\n2.169960 6.137575 3.758481\n-0.000000 -0.000000 7.516963\nRb Al Tl Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.780398 0.219602 0.219602 Cl\n0.219602 0.219602 0.780398 Cl\n0.219602 0.780397 0.780398 Cl\n0.219602 0.780397 0.219602 Cl\n0.780398 0.219602 0.780398 Cl\n0.780398 0.780397 0.219602 Cl\n",
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{
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"structure_string": "Rb2 Al1 Tl1 Br6\n1.0\n6.869209 -0.000000 3.965940\n2.289736 6.476352 3.965940\n-0.000000 -0.000000 7.931879\nRb Al Tl Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.775632 0.224368 0.224369 Br\n0.224369 0.224368 0.775631 Br\n0.224369 0.775631 0.775631 Br\n0.224369 0.775631 0.224368 Br\n0.775632 0.224368 0.775631 Br\n0.775632 0.775631 0.224368 Br\n",
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{
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"updated_at": "2022-09-04T14:38:44.423884Z",
"structure_string": "Rb2 Al2 Si6 O16\n1.0\n7.741951 -0.049935 1.952633\n-3.639965 6.833078 1.952633\n0.021079 0.034856 7.200275\nRb Al Si O\n2 2 6 16\ndirect\n0.286071 0.297962 0.855782 Rb\n0.702038 0.713929 0.144216 Rb\n0.596503 0.834180 0.659533 Al\n0.165820 0.403497 0.340465 Al\n0.800305 0.178731 0.224552 Si\n0.196872 0.811883 0.780146 Si\n0.188117 0.803128 0.219853 Si\n0.400199 0.160070 0.341978 Si\n0.839929 0.599801 0.658020 Si\n0.821269 0.199695 0.775447 Si\n0.968451 0.705885 0.405529 O\n0.337795 0.713977 0.748267 O\n0.738212 0.360015 0.733351 O\n0.353089 0.339604 0.279243 O\n0.660396 0.646911 0.720756 O\n0.706808 0.957582 0.391401 O\n0.294115 0.031548 0.594470 O\n0.326459 0.019179 0.215768 O\n0.152168 0.847832 -0.000000 O\n0.842345 0.157654 -0.000000 O\n0.007576 0.333790 0.213792 O\n0.286023 0.662205 0.251732 O\n0.980820 0.673541 0.784231 O\n0.666210 -0.007576 0.786207 O\n0.042418 0.293191 0.608597 O\n0.639985 0.261788 0.266648 O\n",
"nsites": 26,
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],
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{
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"created_at": "2022-09-04T14:38:29.999143Z",
"updated_at": "2022-09-04T14:38:29.999159Z",
"structure_string": "Rb2 Al2 Sb2 O7\n1.0\n2.867198 -4.966132 0.000000\n2.867198 4.966132 -0.000000\n0.000000 -0.000000 8.356913\nRb Al Sb O\n2 2 2 7\ndirect\n0.333333 0.666667 0.407889 Rb\n0.666667 0.333333 0.592111 Rb\n0.000000 0.000000 0.793075 Al\n0.000000 0.000000 0.206925 Al\n0.666667 0.333333 0.151468 Sb\n0.333333 0.666667 0.848532 Sb\n0.168039 0.336079 0.716736 O\n0.336079 0.168039 0.283264 O\n0.663922 0.831962 0.716736 O\n0.168039 0.831961 0.716736 O\n0.831962 0.663922 0.283264 O\n0.000000 0.000000 0.000000 O\n0.831961 0.168039 0.283264 O\n",
"nsites": 13,
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],
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{
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"created_at": "2022-09-04T14:38:40.762480Z",
"updated_at": "2022-09-04T14:38:40.762500Z",
"structure_string": "Rb4 Al2 O2 F10\n1.0\n6.280203 0.059439 -0.000000\n-0.976872 6.204047 0.000000\n-0.000000 -0.000000 7.549850\nRb Al O F\n4 2 2 10\ndirect\n0.501892 0.957873 0.250000 Rb\n0.042127 0.498108 0.750000 Rb\n0.498108 0.042127 0.750000 Rb\n0.957872 0.501892 0.250000 Rb\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.422040 0.422041 0.250000 O\n0.577960 0.577960 0.750000 O\n0.778054 0.778054 0.990613 F\n0.221946 0.221946 0.009387 F\n0.778054 0.778054 0.509387 F\n0.221946 0.221946 0.490613 F\n0.189470 0.810530 0.500000 F\n0.810530 0.189470 0.500000 F\n0.189470 0.810530 0.000000 F\n0.988689 0.988690 0.250000 F\n0.810530 0.189470 0.000000 F\n0.011311 0.011311 0.750000 F\n",
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{
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"created_at": "2022-09-04T14:36:07.384303Z",
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"structure_string": "Rb2 Al1 In1 I6\n1.0\n7.328745 0.000000 4.231253\n2.442915 6.909606 4.231253\n-0.000000 -0.000000 8.462506\nRb Al In I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.768082 0.231919 0.231918 I\n0.231919 0.231919 0.768081 I\n0.231918 0.768082 0.768081 I\n0.231918 0.768082 0.231918 I\n0.768082 0.231919 0.768081 I\n0.768081 0.768082 0.231918 I\n",
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"chemical_system": "Al-I-In-Rb",
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"density_atomic": 0.023335554001266953,
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{
"id": "jvasp-100120",
"created_at": "2022-09-04T14:36:15.534349Z",
"updated_at": "2022-09-04T14:36:15.534370Z",
"structure_string": "Rb2 Al1 In1 F6\n1.0\n5.434192 -0.000000 3.137433\n1.811398 5.123405 3.137433\n-0.000000 -0.000000 6.274864\nRb Al In F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750001 0.749999 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.499999 In\n0.206869 0.206869 0.793130 F\n0.206869 0.793132 0.793130 F\n0.793131 0.793132 0.206868 F\n0.206869 0.793132 0.206868 F\n0.793131 0.206869 0.793130 F\n0.793131 0.206869 0.206868 F\n",
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{
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"created_at": "2022-09-04T14:36:20.877700Z",
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"structure_string": "Rb2 Al1 In1 Br6\n1.0\n6.825459 -0.000000 3.940680\n2.275153 6.435105 3.940680\n-0.000000 0.000000 7.881361\nRb Al In Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.774149 0.225851 0.225851 Br\n0.225851 0.225851 0.774149 Br\n0.225851 0.774149 0.774149 Br\n0.225851 0.774149 0.225851 Br\n0.774149 0.225851 0.774149 Br\n0.774149 0.774149 0.225851 Br\n",
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],
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"volume": 346.16943584918187,
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{
"id": "jvasp-102876",
"created_at": "2022-09-04T14:36:36.513122Z",
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"structure_string": "Rb2 Al1 Hg1 F6\n1.0\n5.374775 -0.000000 3.103127\n1.791592 5.067386 3.103127\n0.000000 0.000000 6.206256\nRb Al Hg F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.499999 0.500000 0.500001 Hg\n0.791116 0.208884 0.208884 F\n0.208883 0.208884 0.791117 F\n0.208883 0.791117 0.791118 F\n0.208883 0.791117 0.208884 F\n0.791116 0.208884 0.791118 F\n0.791115 0.791117 0.208885 F\n",
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{
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"structure_string": "Rb2 Al1 Hg1 Cl6\n1.0\n6.361334 0.000000 3.672719\n2.120444 5.997524 3.672719\n-0.000000 -0.000000 7.345436\nRb Al Hg Cl\n2 1 1 6\ndirect\n0.749999 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.499999 0.500000 0.500001 Hg\n0.774251 0.225748 0.225749 Cl\n0.225748 0.225748 0.774252 Cl\n0.225748 0.774251 0.774253 Cl\n0.225748 0.774251 0.225749 Cl\n0.774251 0.225748 0.774252 Cl\n0.774251 0.774251 0.225750 Cl\n",
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{
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"created_at": "2022-09-04T14:35:45.264196Z",
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"structure_string": "Rb2 Al1 Hg1 Br6\n1.0\n6.699113 -0.000000 3.867735\n2.233038 6.315985 3.867735\n-0.000000 -0.000000 7.735469\nRb Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 Hg\n0.769009 0.230991 0.230992 Br\n0.230991 0.230991 0.769010 Br\n0.230991 0.769009 0.769010 Br\n0.230991 0.769009 0.230991 Br\n0.769009 0.230991 0.769010 Br\n0.769009 0.769009 0.230992 Br\n",
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{
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"structure_string": "Rb2 Al2 H16 N8\n1.0\n7.302539 0.000000 -0.000000\n-0.000000 7.302539 -0.000000\n-0.000000 -0.000000 5.016771\nRb Al H N\n2 2 16 8\ndirect\n0.500000 -0.000000 0.688911 Rb\n0.000000 0.500000 0.311089 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.791235 0.336163 0.810999 H\n0.631755 0.634970 0.424002 H\n0.836163 0.708765 0.810999 H\n0.365030 0.631755 0.575998 H\n0.634970 0.368245 0.575998 H\n0.163837 0.291235 0.810999 H\n0.208765 0.663837 0.810999 H\n0.368245 0.365030 0.424002 H\n0.131755 0.134970 0.575998 H\n0.336163 0.208765 0.189001 H\n0.865030 0.131755 0.424002 H\n0.134970 0.868245 0.424002 H\n0.663837 0.791235 0.189001 H\n0.868245 0.865030 0.575998 H\n0.708765 0.163837 0.189001 H\n0.291235 0.836163 0.189001 H\n0.675726 0.408858 0.762457 N\n0.091142 0.175726 0.762457 N\n0.824274 0.091142 0.237543 N\n0.175726 -0.091142 0.237543 N\n-0.091142 0.824274 0.762457 N\n0.591143 0.675726 0.237543 N\n0.324274 0.591143 0.762457 N\n0.408858 0.324274 0.237543 N\n",
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}
]
}