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{
"id": "jvasp-11122",
"created_at": "2022-09-04T14:38:14.122766Z",
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{
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"structure_string": "Rb2 U2 Ag2 S6\n1.0\n4.049593 0.000000 -0.000000\n-2.024797 7.255596 -0.000000\n0.000000 0.000000 10.410292\nRb U Ag S\n2 2 2 6\ndirect\n0.739459 0.478919 0.250000 Rb\n0.260540 0.521082 0.750000 Rb\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.550633 0.101267 0.750000 Ag\n0.449366 0.898734 0.250000 Ag\n0.376549 0.753101 0.035398 S\n0.623449 0.246900 0.964602 S\n0.623449 0.246900 0.535398 S\n0.058261 0.116523 0.250000 S\n0.941738 0.883478 0.750000 S\n0.376549 0.753101 0.464602 S\n",
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{
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"created_at": "2022-09-04T14:38:19.903572Z",
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"structure_string": "Rb1 U2 Sb1 S8\n1.0\n6.541530 -0.036213 -1.077850\n-2.365494 6.098964 -1.077850\n0.055198 0.080136 7.480362\nRb U Sb S\n1 2 1 8\ndirect\n0.547800 0.547799 0.160232 Rb\n0.415454 0.914993 0.663887 U\n0.914993 0.415453 0.663887 U\n0.002907 0.002907 0.003051 Sb\n0.258260 0.466724 0.479208 S\n0.720475 0.012325 0.464975 S\n0.740525 0.228309 0.928615 S\n0.696954 0.696953 0.787050 S\n0.012325 0.720474 0.464975 S\n0.198582 0.198582 0.791598 S\n0.466724 0.258260 0.479208 S\n0.228308 0.740524 0.928615 S\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.220492199849644,
"density_atomic": 0.04014260592505215,
"volume": 298.93425510054027,
"volume_molar": 15.001868018343348,
"formula_full": "Rb1 U2 Sb1 S8",
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{
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"created_at": "2022-09-04T14:38:55.243044Z",
"updated_at": "2022-09-04T14:38:55.243071Z",
"structure_string": "Rb1 Tm1 W2 O8\n1.0\n5.980666 -0.000000 0.000000\n-2.990332 5.179410 0.000000\n-0.000000 -0.000000 7.529387\nRb Tm W O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Tm\n0.333334 0.666667 0.242186 W\n0.666667 0.333333 0.757814 W\n0.168071 0.831930 0.320151 O\n0.831930 0.168070 0.679850 O\n0.168071 0.336141 0.320151 O\n0.831930 0.663859 0.679850 O\n0.663860 0.831930 0.320151 O\n0.336141 0.168070 0.679850 O\n0.333334 0.666667 0.007907 O\n0.666667 0.333333 0.992094 O\n",
"nsites": 12,
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"elements": [
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"density": 5.3402994196816485,
"density_atomic": 0.051450759023033935,
"volume": 233.23271080661283,
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"formula_full": "Rb1 Tm1 W2 O8",
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{
"id": "jvasp-1672",
"created_at": "2022-09-04T14:36:56.866216Z",
"updated_at": "2022-09-04T14:36:56.866238Z",
"structure_string": "Rb1 Tm1 S2\n1.0\n3.878309 0.006472 6.944976\n1.812766 3.428586 6.944976\n0.010723 0.006472 7.954487\nRb Tm S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500001 Tm\n0.769470 0.769470 0.769471 S\n0.230530 0.230530 0.230530 S\n",
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{
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"created_at": "2022-09-04T14:37:48.510865Z",
"updated_at": "2022-09-04T14:37:48.510899Z",
"structure_string": "Rb1 Tm1 O3\n1.0\n4.424509 0.000000 0.000000\n-0.000000 4.424509 0.000000\n0.000000 -0.000000 4.424509\nRb Tm O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Tm\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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"created_at": "2022-09-04T14:36:46.108173Z",
"updated_at": "2022-09-04T14:36:46.108198Z",
"structure_string": "Rb1 Tm1 O2\n1.0\n3.327814 0.006644 5.914036\n1.554786 2.942283 5.914036\n0.011001 0.006644 6.786019\nRb Tm O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.499998 0.500002 Tm\n0.775254 0.775250 0.775256 O\n0.224747 0.224746 0.224748 O\n",
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"formula_full": "Rb1 Tm1 O2",
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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",
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"formula_full": "Rb1 Tl1 S2 O8",
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{
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"created_at": "2022-09-04T14:35:56.233920Z",
"updated_at": "2022-09-04T14:35:56.233945Z",
"structure_string": "Rb1 Tl1 O3\n1.0\n4.406364 -0.000000 0.000000\n0.000000 4.406364 -0.000000\n-0.000000 0.000000 4.406364\nRb Tl O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Tl\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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"created_at": "2022-09-04T14:36:58.873500Z",
"updated_at": "2022-09-04T14:36:58.873515Z",
"structure_string": "Rb1 Tl1 O2\n1.0\n3.378112 -0.016650 5.801119\n1.553224 2.999903 5.801119\n-0.027522 -0.016650 6.712963\nRb Tl O\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Rb\n0.000000 0.000000 0.000000 Tl\n0.729181 0.729181 0.729183 O\n0.270818 0.270818 0.270818 O\n",
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{
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"created_at": "2022-09-04T14:36:50.065718Z",
"updated_at": "2022-09-04T14:36:50.065738Z",
"structure_string": "Rb2 Tl2 O2\n1.0\n6.680223 -0.007050 1.951741\n5.646498 3.569664 1.951741\n-0.003147 -0.000909 6.436237\nRb Tl O\n2 2 2\ndirect\n0.874779 0.874777 0.343795 Rb\n0.125222 0.125221 0.656205 Rb\n0.640533 0.640532 0.148425 Tl\n0.359467 0.359467 0.851575 Tl\n0.248613 0.248613 0.214632 O\n0.751387 0.751386 0.785368 O\n",
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{
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"created_at": "2022-09-04T14:38:48.450036Z",
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"structure_string": "Rb2 Tl2 I6\n1.0\n7.570462 -0.000000 4.370808\n2.523487 7.137500 4.370808\n-0.000000 -0.000000 8.741617\nRb Tl I\n2 2 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.750012 0.249988 0.249988 I\n0.249988 0.249988 0.750013 I\n0.249988 0.750012 0.750013 I\n0.249988 0.750012 0.249988 I\n0.750012 0.249988 0.750013 I\n0.750012 0.750012 0.249988 I\n",
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}