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{
"id": "jvasp-99938",
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{
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"structure_string": "Rb2 V6 Se4 O24\n1.0\n7.146013 -0.000001 0.000000\n-3.573005 6.188630 -0.000000\n0.000000 0.000000 11.395590\nRb V Se O\n2 6 4 24\ndirect\n0.666667 0.333333 0.031157 Rb\n0.333332 0.666667 0.531157 Rb\n0.789899 0.123623 0.709270 V\n0.666275 0.789900 0.209270 V\n0.876377 0.666276 0.709270 V\n0.210100 0.876378 0.209270 V\n0.123622 0.333724 0.209270 V\n0.333724 0.210101 0.709270 V\n0.666667 0.333333 0.477527 Se\n0.333332 0.666667 0.977527 Se\n0.000000 0.000000 0.435852 Se\n0.000000 0.000000 0.935852 Se\n0.119205 0.866056 0.368986 O\n0.880794 0.133944 0.868986 O\n0.746849 0.880794 0.368986 O\n0.133944 0.253150 0.368986 O\n0.866055 0.746850 0.868986 O\n0.253150 0.119206 0.868986 O\n0.748183 0.875513 0.676381 O\n0.216051 0.414764 0.043476 O\n0.872670 0.748184 0.176381 O\n0.875512 0.127330 0.176381 O\n0.124487 0.872671 0.676381 O\n0.127329 0.251816 0.676381 O\n0.251815 0.124487 0.176381 O\n0.540151 0.081113 0.735946 O\n0.585236 0.801287 0.043476 O\n0.459037 0.540151 0.235946 O\n0.918886 0.459037 0.735946 O\n0.540962 0.459849 0.735946 O\n0.459848 0.918887 0.235946 O\n0.198713 0.783949 0.043476 O\n0.414763 0.198714 0.543476 O\n0.783948 0.585236 0.543476 O\n0.081113 0.540963 0.235946 O\n0.801286 0.216051 0.543476 O\n",
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{
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"created_at": "2022-09-04T14:35:55.870484Z",
"updated_at": "2022-09-04T14:35:55.870509Z",
"structure_string": "Rb1 V1 P2 S7\n1.0\n6.437347 0.016355 -0.608220\n-0.746002 6.393995 -0.608220\n0.003396 0.003825 6.422323\nRb V P S\n1 1 2 7\ndirect\n0.109980 0.890022 0.500000 Rb\n0.499952 0.500050 0.000000 V\n0.051537 0.345378 0.083359 P\n0.654624 0.948465 0.916641 P\n0.989779 0.010222 0.000000 S\n0.547143 0.186505 0.769502 S\n0.315131 0.369529 0.287077 S\n0.630472 0.684871 0.712923 S\n0.524638 0.856845 0.175264 S\n0.143157 0.475364 0.824736 S\n0.813497 0.452859 0.230497 S\n",
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{
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"created_at": "2022-09-04T14:35:44.953120Z",
"updated_at": "2022-09-04T14:35:44.953137Z",
"structure_string": "Rb4 V4 P4 O20\n1.0\n7.586146 0.000000 0.000000\n0.000000 7.840840 0.000000\n0.000000 0.000000 8.403173\nRb V P O\n4 4 4 20\ndirect\n0.370984 0.708487 0.480978 Rb\n0.129016 0.208487 0.519022 Rb\n0.870985 0.291513 0.019022 Rb\n0.629016 0.791513 0.980978 Rb\n0.137002 0.792129 0.872255 V\n0.637002 0.207871 0.627745 V\n0.862999 0.707871 0.372255 V\n0.362999 0.292129 0.127745 V\n0.624976 0.068045 0.343636 P\n0.375024 0.431955 0.843636 P\n0.875025 0.568045 0.656364 P\n0.124976 0.931955 0.156364 P\n0.821208 0.570126 0.233181 O\n0.678793 0.070126 0.766819 O\n0.321208 0.429874 0.266819 O\n0.062599 0.856231 0.316744 O\n0.312798 0.614755 0.811547 O\n0.187202 0.114755 0.188452 O\n0.521116 0.420893 0.974257 O\n0.271778 0.821172 0.075468 O\n0.021115 0.579107 0.525743 O\n0.478885 0.079107 0.474257 O\n0.687202 0.885245 0.311548 O\n0.437402 0.356231 0.683256 O\n0.937402 0.643769 0.816743 O\n0.562599 0.143769 0.183256 O\n0.728223 0.678828 0.575468 O\n0.178793 0.929874 0.733181 O\n0.228223 0.321172 0.924531 O\n0.771778 0.178828 0.424532 O\n0.978885 0.920893 0.025743 O\n0.812798 0.385245 0.688452 O\n",
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{
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"updated_at": "2022-09-04T14:37:44.668922Z",
"structure_string": "Rb2 V2 I4 O16\n1.0\n5.280945 -0.019132 0.017521\n-0.213204 7.983138 0.148368\n-0.158454 -3.077539 9.135620\nRb V I O\n2 2 4 16\ndirect\n0.265599 0.807130 0.081041 Rb\n0.734403 0.192870 0.918959 Rb\n0.764538 0.637302 0.302252 V\n0.235465 0.362698 0.697749 V\n0.682620 0.145820 0.438784 I\n0.742899 0.630691 0.767929 I\n0.257103 0.369310 0.232071 I\n0.317382 0.854180 0.561216 I\n0.921956 0.652501 0.456770 O\n0.996125 0.502824 0.830006 O\n0.485795 0.522888 0.845168 O\n0.803879 0.827634 0.267399 O\n0.570132 0.329877 0.599124 O\n0.781539 0.827342 0.919059 O\n0.630873 0.963561 0.614165 O\n0.218463 0.172658 0.080942 O\n0.429870 0.670123 0.400876 O\n0.514207 0.477113 0.154832 O\n0.680879 0.263293 0.300949 O\n0.078046 0.347499 0.543230 O\n0.369129 0.036440 0.385835 O\n0.319123 0.736708 0.699052 O\n0.003877 0.497176 0.169994 O\n0.196123 0.172367 0.732601 O\n",
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{
"id": "jvasp-11379",
"created_at": "2022-09-04T14:37:07.691850Z",
"updated_at": "2022-09-04T14:37:07.691862Z",
"structure_string": "Rb4 V2 Cu2 S8\n1.0\n5.308064 0.000000 1.234191\n2.654031 6.629382 0.617096\n0.021619 0.000000 11.938693\nRb V Cu S\n4 2 2 8\ndirect\n0.053625 0.250000 0.892749 Rb\n0.696375 0.250000 0.607251 Rb\n0.303625 0.750000 0.392749 Rb\n0.946374 0.750000 0.107251 Rb\n0.874999 0.250000 0.250000 V\n0.125000 0.750000 0.750000 V\n0.625000 0.750000 0.750000 Cu\n0.375000 0.250000 0.250000 Cu\n0.397032 0.558788 0.858028 S\n0.313848 0.941212 0.641973 S\n0.044180 0.558788 0.641972 S\n0.744940 0.941212 0.858028 S\n0.255060 0.058788 0.141972 S\n0.686152 0.058788 0.358027 S\n0.955819 0.441212 0.358028 S\n0.602967 0.441212 0.141972 S\n",
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{
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"structure_string": "Rb2 V2 Cu4 S8\n1.0\n5.195113 -0.000000 -1.546222\n0.000000 7.371460 0.000000\n-0.005198 0.000000 9.483111\nRb V Cu S\n2 2 4 8\ndirect\n0.537933 0.750000 0.364084 Rb\n0.173848 0.250000 0.635916 Rb\n0.494029 0.750000 0.781890 V\n0.712139 0.250000 0.218110 V\n0.623461 0.500000 0.000000 Cu\n0.209461 0.250000 0.214010 Cu\n0.995451 0.750000 0.785990 Cu\n0.623461 0.000000 0.000000 Cu\n0.946569 0.005810 0.218288 S\n0.360263 0.750000 0.984538 S\n0.375726 0.250000 0.015462 S\n0.728281 0.505810 0.781712 S\n0.162659 0.750000 0.588996 S\n0.728281 0.994190 0.781712 S\n0.573663 0.250000 0.411004 S\n0.946569 0.494190 0.218288 S\n",
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{
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"structure_string": "Rb2 V4 Cr2 O14\n1.0\n0.000000 6.908747 -0.012272\n4.872850 0.000000 0.000000\n0.000000 -1.657182 -8.251816\nRb V Cr O\n2 4 2 14\ndirect\n0.250000 0.392183 0.500000 Rb\n0.750000 0.607818 0.500000 Rb\n0.376128 0.003063 0.170147 V\n0.623873 0.996937 0.829854 V\n0.876128 0.996937 0.170147 V\n0.123873 0.003063 0.829854 V\n0.500000 0.500000 -0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.120968 0.875821 0.649811 O\n0.879033 0.124179 0.350189 O\n0.612593 0.838994 0.111433 O\n0.379033 0.875821 0.350189 O\n0.518263 0.673281 0.797301 O\n0.981738 0.673281 0.202699 O\n0.887408 0.838994 0.888567 O\n0.112592 0.161006 0.111433 O\n0.620968 0.124179 0.649811 O\n0.750000 0.289735 -0.000000 O\n0.387408 0.161006 0.888567 O\n0.018262 0.326719 0.797302 O\n0.481738 0.326719 0.202699 O\n0.250000 0.710265 -0.000000 O\n",
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{
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"structure_string": "Rb4 V2 Ag2 Se8\n1.0\n5.819176 -0.000000 1.458017\n2.909588 6.848725 0.729008\n0.020318 0.000000 12.260542\nRb V Ag Se\n4 2 2 8\ndirect\n0.942878 0.750001 0.114245 Rb\n0.307123 0.750001 0.385756 Rb\n0.692878 0.250000 0.614244 Rb\n0.057123 0.250000 0.885755 Rb\n0.875001 0.250000 0.250000 V\n0.125000 0.750001 0.750000 V\n0.375000 0.250000 0.250000 Ag\n0.625001 0.750001 0.750000 Ag\n0.074983 0.547772 0.633879 Se\n0.756635 0.952229 0.866121 Se\n0.622755 0.452229 0.133880 Se\n0.708863 0.047771 0.366121 Se\n0.377246 0.547772 0.866120 Se\n0.291138 0.952229 0.633880 Se\n0.243366 0.047771 0.133880 Se\n0.925018 0.452229 0.366121 Se\n",
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"formula_full": "Rb4 V2 Ag2 Se8",
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{
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"created_at": "2022-09-04T14:35:46.887205Z",
"updated_at": "2022-09-04T14:35:46.887230Z",
"structure_string": "Rb4 V2 Ag2 S8\n1.0\n5.627716 -0.000000 1.412755\n2.813858 6.658142 0.706378\n0.014091 -0.000000 11.859265\nRb V Ag S\n4 2 2 8\ndirect\n0.444134 0.750000 0.111734 Rb\n0.194133 0.250000 0.611734 Rb\n0.805868 0.750000 0.388265 Rb\n0.555868 0.250000 0.888265 Rb\n0.625001 0.750000 0.750000 V\n0.375000 0.250000 0.250000 V\n0.125000 0.750000 0.750000 Ag\n0.875001 0.250000 0.250000 Ag\n0.871765 0.553365 0.862299 S\n0.265937 0.946634 0.862299 S\n0.574872 0.553365 0.637700 S\n0.787429 0.946634 0.637700 S\n0.425130 0.446635 0.362299 S\n0.212572 0.053365 0.362299 S\n0.734064 0.053365 0.137700 S\n0.128237 0.446635 0.137701 S\n",
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{
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"created_at": "2022-09-04T14:38:04.190731Z",
"updated_at": "2022-09-04T14:38:04.190747Z",
"structure_string": "Rb2 U2 Te6 Au2\n1.0\n4.401352 -0.000000 -0.000000\n2.200677 8.026364 0.000000\n-0.000000 -0.000000 11.382761\nRb U Te Au\n2 2 6 2\ndirect\n0.245145 0.509711 0.250000 Rb\n0.754856 0.490289 0.750000 Rb\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.631465 0.737068 0.045317 Te\n0.927959 0.144081 0.250000 Te\n0.631465 0.737068 0.454683 Te\n0.368534 0.262932 0.545316 Te\n0.072041 0.855919 0.750000 Te\n0.368534 0.262932 0.954684 Te\n0.538942 0.922116 0.250000 Au\n0.461058 0.077883 0.750000 Au\n",
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],
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{
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"created_at": "2022-09-04T14:38:29.042955Z",
"updated_at": "2022-09-04T14:38:29.042990Z",
"structure_string": "Rb4 U2 Si8 O24\n1.0\n-6.878943 0.071499 -0.003927\n1.775297 8.012948 -0.013216\n-0.209584 -3.231670 -10.785711\nRb U Si O\n4 2 8 24\ndirect\n0.194061 0.298069 0.991157 Rb\n0.830862 0.743663 0.655243 Rb\n0.805937 0.701931 0.008844 Rb\n0.169137 0.256338 0.344758 Rb\n0.322392 0.713242 0.831201 U\n0.677607 0.286759 0.168800 U\n0.618719 0.131231 0.830651 Si\n0.700325 0.250321 0.482713 Si\n0.964935 0.325113 0.711020 Si\n0.678043 0.861163 0.380325 Si\n0.381280 0.868769 0.169350 Si\n0.321956 0.138838 0.619676 Si\n0.299673 0.749679 0.517288 Si\n0.035064 0.674888 0.288981 Si\n0.629269 0.264047 0.968452 O\n0.504570 0.568528 0.800095 O\n0.146327 0.865764 0.864746 O\n0.168278 0.628426 0.390694 O\n0.853672 0.134236 0.135254 O\n0.534438 0.797835 0.483667 O\n0.728184 0.345767 0.375958 O\n0.830182 0.168854 0.760237 O\n0.440614 0.167287 0.749538 O\n0.145276 0.244889 0.635486 O\n0.781505 0.067125 0.439844 O\n0.577184 0.927825 0.826884 O\n0.831720 0.371575 0.609306 O\n0.854722 0.755112 0.364515 O\n0.465560 0.202166 0.516334 O\n0.370729 0.735953 0.031549 O\n0.495429 0.431473 0.199905 O\n0.169816 0.831146 0.239764 O\n0.948795 0.505018 0.176193 O\n0.422815 0.072176 0.173116 O\n0.559384 0.832713 0.250462 O\n0.051204 0.494983 0.823808 O\n0.218493 0.932876 0.560156 O\n0.271815 0.654233 0.624043 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Rb",
"U",
"Si",
"O"
],
"chemical_system": "O-Rb-Si-U",
"density": 3.973409363886416,
"density_atomic": 0.06373764463605174,
"volume": 596.1939795074601,
"volume_molar": 9.448326486469684,
"formula_full": "Rb4 U2 Si8 O24",
"formula_reduced": "Rb2U(SiO3)4",
"formula_anonymous": "AB2C4D12",
"energy_above_hull": 2.869421178947368,
"spacegroup": 2
}
]
}