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"results": [
{
"id": "jvasp-40566",
"created_at": "2022-09-04T14:38:29.483172Z",
"updated_at": "2022-09-04T14:38:29.483189Z",
"structure_string": "Rb4 Tl2 Au6\n1.0\n5.764156 0.000000 -0.000000\n0.000000 6.853072 0.000000\n0.000000 0.000000 9.120367\nRb Tl Au\n4 2 6\ndirect\n0.250000 0.500000 0.129956 Rb\n0.250000 0.000000 0.369626 Rb\n0.750001 0.000000 0.630374 Rb\n0.750001 0.500000 0.870044 Rb\n0.750001 0.500000 0.433245 Tl\n0.250000 0.500000 0.566756 Tl\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.000000 Au\n0.750001 0.211246 0.217123 Au\n0.750001 0.788754 0.217123 Au\n0.250000 0.211246 0.782877 Au\n0.250000 0.788754 0.782877 Au\n",
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{
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"updated_at": "2022-09-04T14:38:42.474032Z",
"structure_string": "Rb4 Tl1 Sb1 Cl12\n1.0\n7.207016 -0.000000 0.000000\n0.000000 7.207016 0.000000\n-0.000000 -0.000000 10.003746\nRb Tl Sb Cl\n4 1 1 12\ndirect\n0.500000 0.000000 0.773685 Rb\n-0.000000 0.500000 0.226315 Rb\n0.500000 0.000000 0.226315 Rb\n-0.000000 0.500000 0.773685 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Sb\n0.743846 0.743846 -0.000000 Cl\n0.261637 0.261637 0.500000 Cl\n0.500000 0.500000 0.742019 Cl\n0.000000 0.000000 0.264869 Cl\n0.256155 0.743846 -0.000000 Cl\n0.738363 0.738363 0.500000 Cl\n0.256155 0.256155 -0.000000 Cl\n0.261637 0.738363 0.500000 Cl\n0.500000 0.500000 0.257981 Cl\n0.000000 0.000000 0.735131 Cl\n0.738363 0.261637 0.500000 Cl\n0.743846 0.256155 -0.000000 Cl\n",
"nsites": 18,
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],
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"density": 3.494415928160209,
"density_atomic": 0.03464167448014377,
"volume": 519.6053675268325,
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"formula_full": "Rb4 Tl1 Sb1 Cl12",
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{
"id": "jvasp-22833",
"created_at": "2022-09-04T14:37:34.294527Z",
"updated_at": "2022-09-04T14:37:34.294553Z",
"structure_string": "Rb4 Ti2 Si6 O18\n1.0\n3.465199 -6.001901 -0.000000\n3.465199 6.001901 0.000000\n0.000000 0.000000 10.084069\nRb Ti Si O\n4 2 6 18\ndirect\n0.666667 0.333333 0.558456 Rb\n0.333333 0.666667 0.058456 Rb\n0.333333 0.666667 0.441544 Rb\n0.666667 0.333333 0.941544 Rb\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.134291 0.757248 0.750000 Si\n0.757248 0.622957 0.250000 Si\n0.377043 0.134291 0.250000 Si\n0.242752 0.377043 0.750000 Si\n0.865709 0.242752 0.250000 Si\n0.622957 0.865709 0.750000 Si\n0.245385 0.030081 0.387293 O\n0.506515 0.589617 0.750000 O\n0.493485 0.410383 0.250000 O\n0.916897 0.506515 0.250000 O\n0.410383 0.916897 0.750000 O\n0.030082 0.784697 0.887293 O\n0.784697 0.754616 0.387293 O\n0.754616 0.969919 0.887293 O\n0.245385 0.030081 0.112707 O\n0.969919 0.215303 0.387293 O\n0.969919 0.215303 0.112707 O\n0.215303 0.245385 0.612707 O\n0.754616 0.969919 0.612707 O\n0.083103 0.493485 0.750000 O\n0.784697 0.754616 0.112707 O\n0.030082 0.784697 0.612707 O\n0.215303 0.245385 0.887293 O\n0.589617 0.083104 0.250000 O\n",
"nsites": 30,
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"elements": [
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"Ti",
"Si",
"O"
],
"chemical_system": "O-Rb-Si-Ti",
"density": 3.5396145730143274,
"density_atomic": 0.07152180107962182,
"volume": 419.4525242254796,
"volume_molar": 8.420007143410494,
"formula_full": "Rb4 Ti2 Si6 O18",
"formula_reduced": "Rb2Ti(SiO3)3",
"formula_anonymous": "AB2C3D9",
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},
{
"id": "jvasp-10085",
"created_at": "2022-09-04T14:38:33.080452Z",
"updated_at": "2022-09-04T14:38:33.080476Z",
"structure_string": "Rb4 Ti2 Cu4 S8\n1.0\n5.608815 -0.000000 0.000000\n0.000000 5.608815 0.000000\n0.000000 0.000000 13.196719\nRb Ti Cu S\n4 2 4 8\ndirect\n0.762132 0.762132 0.000000 Rb\n0.237869 0.762132 0.500000 Rb\n0.762132 0.237869 0.500000 Rb\n0.237869 0.237869 0.000000 Rb\n0.500000 0.500000 0.750000 Ti\n0.500000 0.500000 0.250000 Ti\n0.500000 0.000000 0.250000 Cu\n0.000000 0.500000 0.250000 Cu\n0.000000 0.500000 0.750000 Cu\n0.500000 0.000000 0.750000 Cu\n0.262075 0.737926 0.152074 S\n0.737926 0.737926 0.652074 S\n0.262075 0.262075 0.652074 S\n0.737926 0.737926 0.347926 S\n0.737926 0.262075 0.152074 S\n0.262075 0.737926 0.847926 S\n0.262075 0.262075 0.347926 S\n0.737926 0.262075 0.847926 S\n",
"nsites": 18,
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"elements": [
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"formula_full": "Rb4 Ti2 Cu4 S8",
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"formula_anonymous": "AB2C2D4",
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{
"id": "jvasp-8170",
"created_at": "2022-09-04T14:37:05.969367Z",
"updated_at": "2022-09-04T14:37:05.969387Z",
"structure_string": "Rb4 Te4\n1.0\n4.869587 0.000000 0.000000\n0.000000 5.785928 0.000000\n0.000000 -0.000000 11.085864\nRb Te\n4 4\ndirect\n0.500000 0.670650 0.865951 Rb\n0.500000 0.329350 0.134048 Rb\n0.500000 0.170650 0.634048 Rb\n0.500000 0.829351 0.365951 Rb\n0.000000 0.145945 0.894536 Te\n0.000000 0.854055 0.105463 Te\n0.000000 0.645945 0.605463 Te\n0.000000 0.354055 0.394537 Te\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.530980673094086,
"density_atomic": 0.0256126954928353,
"volume": 312.3451025386164,
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"formula_full": "Rb4 Te4",
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"spacegroup": 55
},
{
"id": "jvasp-10226",
"created_at": "2022-09-04T14:37:33.674325Z",
"updated_at": "2022-09-04T14:37:33.674345Z",
"structure_string": "Rb4 Te2 O6\n1.0\n6.477551 0.000000 0.000000\n-3.238775 5.787403 -0.298978\n0.000000 -0.375996 7.470820\nRb Te O\n4 2 6\ndirect\n0.000000 0.000000 0.000000 Rb\n0.320788 0.641577 0.861747 Rb\n-0.000000 -0.000000 0.500000 Rb\n0.679211 0.358422 0.138253 Rb\n0.341828 0.683656 0.348795 Te\n0.658170 0.316342 0.651205 Te\n0.166520 0.780072 0.213624 O\n0.386448 0.219927 0.786376 O\n0.833478 0.219927 0.786376 O\n0.613550 0.780072 0.213624 O\n0.818113 0.636226 0.723503 O\n0.181886 0.363773 0.276497 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.119955107409529,
"density_atomic": 0.04295849280550741,
"volume": 279.3394091903886,
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"formula_full": "Rb4 Te2 O6",
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"formula_anonymous": "AB2C3",
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"spacegroup": 12
},
{
"id": "jvasp-14351",
"created_at": "2022-09-04T14:37:06.992977Z",
"updated_at": "2022-09-04T14:37:06.993003Z",
"structure_string": "Rb4 Te2 I12\n1.0\n7.945247 -0.000000 0.000000\n0.000000 7.945247 0.000000\n0.000000 -0.000000 12.262731\nRb Te I\n4 2 12\ndirect\n0.000000 0.500000 0.250000 Rb\n0.500000 0.000000 0.250000 Rb\n0.000000 0.500000 0.750000 Rb\n0.500000 0.000000 0.750000 Rb\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.794685 0.686337 0.000000 I\n0.294685 0.813663 0.500000 I\n0.705316 0.186337 0.500000 I\n0.313663 0.794685 0.000000 I\n0.686337 0.205316 0.000000 I\n0.000000 0.000000 0.756447 I\n0.500000 0.500000 0.743553 I\n0.813663 0.705316 0.500000 I\n0.500000 0.500000 0.256447 I\n0.000000 0.000000 0.243552 I\n0.205316 0.313663 0.000000 I\n0.186337 0.294685 0.500000 I\n",
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"density_atomic": 0.023252545217513538,
"volume": 774.1088053639228,
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"formula_full": "Rb4 Te2 I12",
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"formula_anonymous": "AB2C6",
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},
{
"id": "jvasp-9376",
"created_at": "2022-09-04T14:38:32.573953Z",
"updated_at": "2022-09-04T14:38:32.573978Z",
"structure_string": "Rb4 Tb2 F12\n1.0\n7.100639 -0.000000 0.196580\n3.550319 5.889234 0.098290\n0.030901 -0.000000 7.411844\nTb Rb F\n2 4 12\ndirect\n0.959146 0.081709 0.750000 Tb\n0.040854 0.918291 0.250000 Tb\n0.679136 0.684542 0.000510 Rb\n0.636322 0.684542 0.499489 Rb\n0.363678 0.315458 0.500510 Rb\n0.320864 0.315458 0.999489 Rb\n0.390743 0.608455 0.225415 F\n0.000802 0.608455 0.274585 F\n0.704688 0.981529 0.728817 F\n0.933098 0.206536 0.044761 F\n0.686217 0.018470 0.228817 F\n0.999198 0.391544 0.725414 F\n0.609257 0.391544 0.774585 F\n0.139634 0.793464 0.544761 F\n0.066902 0.793464 0.955238 F\n0.860366 0.206536 0.455239 F\n0.295312 0.018470 0.271183 F\n0.313783 0.981529 0.771182 F\n",
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},
{
"id": "jvasp-88000",
"created_at": "2022-09-04T14:35:50.608585Z",
"updated_at": "2022-09-04T14:35:50.608612Z",
"structure_string": "Rb4 Ta4 O12\n1.0\n6.451388 0.011081 0.429999\n0.756654 6.406871 0.429999\n0.034657 0.030859 8.169351\nRb Ta O\n4 4 12\ndirect\n0.768688 0.231313 0.500000 Rb\n0.231312 0.768687 0.500000 Rb\n0.336096 0.336095 0.239023 Rb\n0.663905 0.663904 0.760978 Rb\n0.261481 0.261481 0.801831 Ta\n0.810530 0.189470 0.000000 Ta\n0.189470 0.810530 0.000000 Ta\n0.738519 0.738519 0.198169 Ta\n0.953145 0.288836 0.786979 O\n0.711164 0.046855 0.213021 O\n0.122288 0.122288 0.052825 O\n0.666938 0.666938 0.413825 O\n0.333062 0.333062 0.586175 O\n0.453180 0.772906 0.103760 O\n0.227094 0.546819 0.896240 O\n0.546820 0.227094 0.896240 O\n0.772907 0.453181 0.103760 O\n0.877712 0.877712 0.947175 O\n0.288836 0.953145 0.786979 O\n0.046855 0.711164 0.213021 O\n",
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},
{
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"created_at": "2022-09-04T14:36:53.258751Z",
"updated_at": "2022-09-04T14:36:53.258781Z",
"structure_string": "Rb4 Ta4 O12\n1.0\n5.142297 -0.006880 0.009342\n-0.692752 8.400643 0.039048\n-0.570733 -3.686618 8.129363\nRb Ta O\n4 4 12\ndirect\n0.500000 0.500000 -0.000000 Rb\n0.916542 0.204209 0.596368 Rb\n0.500001 0.500000 0.500000 Rb\n0.083459 0.795790 0.403631 Rb\n0.526109 0.012463 0.812504 Ta\n-0.002937 0.783730 0.854975 Ta\n0.002938 0.216269 0.145025 Ta\n0.473892 0.987536 0.187496 Ta\n0.596568 0.889197 0.320207 O\n0.149762 0.441775 0.230025 O\n0.710448 0.218931 0.271928 O\n0.198905 0.123482 0.295009 O\n0.801096 0.876517 0.704991 O\n0.783994 0.215084 0.955244 O\n0.850240 0.558224 0.769974 O\n0.403434 0.110803 0.679793 O\n0.216008 0.784915 0.044755 O\n0.263930 0.076527 0.989599 O\n0.289553 0.781068 0.728072 O\n0.736071 0.923472 0.010400 O\n",
"nsites": 20,
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],
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"density_atomic": 0.056826669092107575,
"volume": 351.94742749364696,
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"formula_full": "Rb4 Ta4 O12",
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},
{
"id": "jvasp-119152",
"created_at": "2022-09-04T14:38:51.680417Z",
"updated_at": "2022-09-04T14:38:51.680433Z",
"structure_string": "Rb4 Ta2 F14\n1.0\n5.866817 -0.000000 0.000000\n0.000000 5.793084 0.000000\n-0.000000 -0.000000 10.546762\nRb Ta F\n4 2 14\ndirect\n-0.000000 0.500000 0.365096 Rb\n0.500000 0.000000 0.634904 Rb\n0.500000 0.500000 -0.006301 Rb\n0.000000 0.000000 0.006301 Rb\n-0.000000 0.500000 0.756796 Ta\n0.500000 0.000000 0.243204 Ta\n0.794182 0.500000 0.607975 F\n0.205819 0.500000 0.607975 F\n0.500000 0.000000 0.049915 F\n-0.000000 0.500000 0.950085 F\n0.781208 0.253608 0.798808 F\n0.281208 0.753607 0.201191 F\n0.781208 0.746392 0.798808 F\n0.218793 0.746392 0.798808 F\n0.294181 0.000000 0.392025 F\n0.718793 0.753607 0.201191 F\n0.281208 0.246392 0.201191 F\n0.218793 0.253608 0.798808 F\n0.718793 0.246392 0.201191 F\n0.705819 0.000000 0.392025 F\n",
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"density": 4.492364184809882,
"density_atomic": 0.05579541116609043,
"volume": 358.4524171793355,
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"formula_full": "Rb4 Ta2 F14",
"formula_reduced": "Rb2TaF7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.1205831177500006,
"spacegroup": 59
},
{
"id": "jvasp-10881",
"created_at": "2022-09-04T14:37:09.911258Z",
"updated_at": "2022-09-04T14:37:09.911287Z",
"structure_string": "Rb4 Ta2 Cu2 Se8\n1.0\n5.639745 0.000000 1.322719\n2.819872 6.930288 0.661360\n0.023398 -0.000000 12.584830\nRb Ta Cu Se\n4 2 2 8\ndirect\n0.804393 0.750000 0.391215 Rb\n0.445607 0.750000 0.108785 Rb\n0.195608 0.250000 0.608785 Rb\n0.554393 0.250000 0.891215 Rb\n0.625000 0.750000 0.750000 Ta\n0.375000 0.250000 0.250000 Ta\n0.125000 0.750000 0.750000 Cu\n0.875001 0.250000 0.250000 Cu\n0.822955 0.952394 0.636284 Se\n0.911632 0.547606 0.863716 Se\n0.224652 0.952394 0.863716 Se\n0.540763 0.547606 0.636284 Se\n0.459237 0.452394 0.363716 Se\n0.775349 0.047606 0.136284 Se\n0.088369 0.452394 0.136284 Se\n0.177046 0.047606 0.363716 Se\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.939555325713779,
"density_atomic": 0.032542528615892304,
"volume": 491.6643137616025,
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"formula_full": "Rb4 Ta2 Cu2 Se8",
"formula_reduced": "Rb2TaCuSe4",
"formula_anonymous": "ABC2D4",
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}
]
}