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{
"id": "jvasp-50006",
"created_at": "2022-09-04T14:35:43.926706Z",
"updated_at": "2022-09-04T14:35:43.926736Z",
"structure_string": "Rb1 Ta1 O3\n1.0\n4.069168 -0.083845 -0.080564\n0.085301 4.069139 -0.080564\n0.085301 0.081828 4.069113\nRb Ta O\n1 1 3\ndirect\n0.024259 0.024259 0.024259 Rb\n0.516034 0.516035 0.516034 Ta\n0.034199 0.530744 0.530744 O\n0.530744 0.034200 0.530744 O\n0.530744 0.530744 0.034200 O\n",
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{
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"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": "2022-09-04T14:37:10.513081Z",
"updated_at": "2022-09-04T14:37:10.513100Z",
"structure_string": "Rb3 Ta1 O8\n1.0\n5.899902 0.071387 -2.526338\n-3.352558 5.300274 -1.365205\n0.045154 -0.071387 6.417881\nRb Ta O\n3 1 8\ndirect\n-0.000001 0.499999 0.499999 Rb\n0.499999 0.250000 0.749999 Rb\n0.499999 0.750000 0.249999 Rb\n0.000000 0.000000 0.000000 Ta\n0.587146 0.811715 0.811714 O\n-0.000001 0.188283 0.775431 O\n-0.000001 0.775431 0.188283 O\n0.412852 0.224568 0.224568 O\n0.271788 0.322497 0.322497 O\n-0.000002 0.677502 0.949290 O\n-0.000001 0.949291 0.677501 O\n0.728211 0.050709 0.050708 O\n",
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"volume": 201.65077197353276,
"volume_molar": 10.11974444322731,
"formula_full": "Rb3 Ta1 O8",
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"spacegroup": 121
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{
"id": "jvasp-42209",
"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",
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{
"id": "jvasp-26809",
"created_at": "2022-09-04T14:38:31.344695Z",
"updated_at": "2022-09-04T14:38:31.344713Z",
"structure_string": "Rb1 Tl1 S2 O8\n1.0\n4.753729 0.008853 7.513249\n2.183912 4.222388 7.513249\n0.014516 0.008853 8.890819\nRb Tl S O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.499999 0.500000 Tl\n0.756154 0.756153 0.756154 S\n0.243847 0.243846 0.243847 S\n0.698637 0.698636 0.698637 O\n0.301364 0.301363 0.301364 O\n0.936769 0.225505 0.508929 O\n0.063233 0.491071 0.774494 O\n0.491071 0.774494 0.063232 O\n0.508929 0.936768 0.225506 O\n0.225507 0.508928 0.936768 O\n0.774495 0.063231 0.491071 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.505028017118121,
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"volume": 177.65493850076018,
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"formula_full": "Rb1 Tl1 S2 O8",
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"spacegroup": 155
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{
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"created_at": "2022-09-04T14:38:43.287419Z",
"updated_at": "2022-09-04T14:38:43.287441Z",
"structure_string": "Rb1 Sc1 S2 O8\n1.0\n5.271416 0.000000 0.000000\n-2.635707 4.565181 0.000000\n0.000000 0.000000 7.773815\nRb Sc S O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.333333 0.666666 0.230022 S\n0.666667 0.333333 0.769979 S\n0.180449 0.361040 0.162211 O\n0.638960 0.819409 0.162211 O\n0.361040 0.180449 0.837789 O\n0.180590 0.819550 0.162211 O\n0.819410 0.638960 0.837789 O\n0.819551 0.180590 0.837789 O\n0.333333 0.666666 0.416816 O\n0.666667 0.333333 0.583185 O\n",
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"density_atomic": 0.06414484401638236,
"volume": 187.07661050567435,
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"formula_full": "Rb1 Sc1 S2 O8",
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"formula_anonymous": "ABC2D8",
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{
"id": "jvasp-38289",
"created_at": "2022-09-04T14:35:48.489590Z",
"updated_at": "2022-09-04T14:35:48.489614Z",
"structure_string": "Rb1 Sr1 O3\n1.0\n4.790614 0.000000 -0.000000\n-0.000000 4.790614 0.000000\n0.000000 0.000000 4.790614\nRb Sr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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],
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"density_atomic": 0.04547748783430641,
"volume": 109.94450744986398,
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"formula_full": "Rb1 Sr1 O3",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-50821",
"created_at": "2022-09-04T14:35:56.549512Z",
"updated_at": "2022-09-04T14:35:56.549530Z",
"structure_string": "Rb4 Sn2 O6\n1.0\n5.347400 3.739597 0.000000\n-5.347400 3.739597 0.000000\n0.000000 0.000000 5.827336\nRb Sn O\n4 2 6\ndirect\n0.482856 0.804738 0.247965 Rb\n0.195263 0.517145 0.747966 Rb\n0.517145 0.195263 0.747966 Rb\n0.804738 0.482856 0.247965 Rb\n0.912056 0.912056 0.739546 Sn\n0.087945 0.087945 0.239546 Sn\n0.133505 0.879605 0.492937 O\n0.120396 0.866496 0.992937 O\n0.651018 0.651018 0.718649 O\n0.348983 0.348983 0.218648 O\n0.866496 0.120396 0.992937 O\n0.879605 0.133505 0.492937 O\n",
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"formula_full": "Rb4 Sn2 O6",
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},
{
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"created_at": "2022-09-04T14:37:06.207946Z",
"updated_at": "2022-09-04T14:37:06.207963Z",
"structure_string": "Rb8 Sn2 O6\n1.0\n3.327176 9.650835 -0.147444\n-3.327176 9.650835 0.147444\n-2.598005 0.000000 6.475796\nRb Sn O\n8 2 6\ndirect\n0.597698 0.721870 0.808945 Rb\n0.457609 0.486858 0.721543 Rb\n0.037016 0.062904 0.741994 Rb\n0.347855 0.233119 0.880270 Rb\n0.278131 0.402302 0.308944 Rb\n0.513142 0.542391 0.221543 Rb\n0.937096 0.962985 0.241994 Rb\n0.766882 0.652145 0.380270 Rb\n0.875244 0.846894 0.722052 Sn\n0.153106 0.124756 0.222052 Sn\n0.165463 0.684899 0.947042 O\n0.033681 0.647635 0.542416 O\n0.315101 0.834537 0.447042 O\n0.352366 0.966319 0.042415 O\n0.708776 0.150796 0.528426 O\n0.849205 0.291224 0.028426 O\n",
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"formula_full": "Rb8 Sn2 O6",
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},
{
"id": "jvasp-110854",
"created_at": "2022-09-04T14:38:48.485082Z",
"updated_at": "2022-09-04T14:38:48.485123Z",
"structure_string": "Rb1 Sn1 O3\n1.0\n4.181185 -0.000000 0.000000\n0.000000 4.181185 0.000000\n-0.000000 -0.000000 4.181185\nRb Sn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500001 0.500001 Sn\n0.500001 0.500001 -0.000000 O\n0.500001 0.000000 0.500001 O\n-0.000000 0.500001 0.500001 O\n",
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},
{
"id": "jvasp-10084",
"created_at": "2022-09-04T14:38:02.633026Z",
"updated_at": "2022-09-04T14:38:02.633052Z",
"structure_string": "Rb8 Sn2 O8\n1.0\n6.795586 0.005210 0.057453\n2.713946 6.258800 0.018033\n1.904665 2.674371 9.628678\nRb Sn O\n8 2 8\ndirect\n0.741868 0.591603 0.164130 Rb\n0.258134 0.408397 0.835870 Rb\n0.764714 0.239397 0.967196 Rb\n0.235288 0.760603 0.032804 Rb\n0.278798 0.508041 0.440947 Rb\n0.721204 0.491959 0.559052 Rb\n0.789768 0.030109 0.376942 Rb\n0.210234 0.969891 0.623058 Rb\n0.277185 0.156066 0.247622 Sn\n0.722817 0.843934 0.752377 Sn\n0.871200 0.839677 0.904768 O\n0.128801 0.160323 0.095232 O\n0.036158 0.303208 0.374252 O\n0.963844 0.696792 0.625748 O\n0.466589 0.336383 0.188675 O\n0.533413 0.663617 0.811325 O\n0.454166 0.850742 0.353149 O\n0.545836 0.149258 0.646851 O\n",
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"formula_full": "Rb8 Sn2 O8",
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},
{
"id": "jvasp-2658",
"created_at": "2022-09-04T14:36:39.763337Z",
"updated_at": "2022-09-04T14:36:39.763373Z",
"structure_string": "Rb2 Sn2 O3\n1.0\n5.293205 -0.043753 3.054198\n1.743225 4.998110 3.054198\n-0.062139 -0.043753 6.110834\nRb Sn O\n2 2 3\ndirect\n0.500000 0.500001 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.238637 0.238637 0.238637 Sn\n0.761363 0.761364 0.761363 Sn\n0.000000 0.500000 -0.000000 O\n-0.000000 0.000000 0.500000 O\n0.499999 0.000000 0.000000 O\n",
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"formula_full": "Rb2 Sn2 O3",
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"formula_anonymous": "A2B2C3",
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"spacegroup": 166
}
]
}