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{
"id": "jvasp-101508",
"created_at": "2022-09-04T14:36:39.722580Z",
"updated_at": "2022-09-04T14:36:39.722607Z",
"structure_string": "Na3 Ga1 Br6\n1.0\n6.536070 0.000000 3.773602\n2.178690 6.162266 3.773602\n-0.000000 -0.000000 7.547204\nNa Ga Br\n3 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Ga\n0.761873 0.238127 0.238127 Br\n0.238127 0.238127 0.761872 Br\n0.238127 0.761873 0.761872 Br\n0.238127 0.761873 0.238127 Br\n0.761873 0.238127 0.761872 Br\n0.761873 0.761873 0.238126 Br\n",
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{
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"structure_string": "Ba1 Zn1 Cl2\n1.0\n5.081134 0.000000 0.000000\n0.000000 5.081134 -0.000000\n0.000000 0.000000 4.220756\nBa Zn Cl\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n",
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{
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"updated_at": "2022-09-04T14:36:31.676061Z",
"structure_string": "Rb4 S4 F20\n1.0\n6.018661 -0.000000 0.000000\n-0.000000 7.693199 0.000000\n0.000000 0.000000 9.758248\nRb S F\n4 4 20\ndirect\n0.250000 0.852568 0.156608 Rb\n0.750000 0.352568 0.343392 Rb\n0.250000 0.647433 0.656608 Rb\n0.750000 0.147433 0.843392 Rb\n0.250000 0.354171 0.097026 S\n0.750000 0.645829 0.902974 S\n0.750000 0.854172 0.402974 S\n0.250000 0.145829 0.597026 S\n0.037685 0.309704 0.579248 F\n0.537685 0.690296 0.420752 F\n0.962315 0.809704 0.920752 F\n0.462315 0.190296 0.079248 F\n0.955702 0.006695 0.355101 F\n0.455702 -0.006695 0.644899 F\n0.250000 0.201525 0.757548 F\n0.044298 -0.006695 0.644899 F\n0.544297 0.006695 0.355101 F\n0.955702 0.493305 0.855101 F\n0.455702 0.506695 0.144899 F\n0.537685 0.809704 0.920752 F\n0.037685 0.190296 0.079248 F\n0.462315 0.309704 0.579248 F\n0.962315 0.690296 0.420752 F\n0.250000 0.298475 0.257548 F\n0.750000 0.701525 0.742453 F\n0.750000 0.798475 0.242453 F\n0.544297 0.493305 0.855101 F\n0.044298 0.506695 0.144899 F\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.06196969107555012,
"volume": 451.83378380673065,
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},
{
"id": "jvasp-99725",
"created_at": "2022-09-04T14:36:31.658294Z",
"updated_at": "2022-09-04T14:36:31.658317Z",
"structure_string": "Rb2 Tl1 Ga1 I6\n1.0\n7.383118 -0.000000 4.262645\n2.461040 6.960870 4.262645\n0.000000 0.000000 8.525290\nRb Tl Ga I\n2 1 1 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 Ga\n0.766953 0.233047 0.233047 I\n0.233047 0.233047 0.766953 I\n0.233047 0.766953 0.766954 I\n0.233047 0.766953 0.233047 I\n0.766953 0.233047 0.766954 I\n0.766954 0.766953 0.233047 I\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.022823776525193684,
"volume": 438.13958610055835,
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{
"id": "jvasp-50671",
"created_at": "2022-09-04T14:36:31.629094Z",
"updated_at": "2022-09-04T14:36:31.629112Z",
"structure_string": "Li2 Cu2 F6\n1.0\n2.538184 1.327391 -4.191080\n2.538184 4.864615 0.003548\n2.538184 -1.327391 4.191080\nLi Cu F\n2 2 6\ndirect\n0.386516 0.420225 0.193258 Li\n0.386515 0.920225 0.693257 Li\n0.978116 0.532825 0.489057 Cu\n0.978115 0.032825 0.989057 Cu\n0.162022 0.251786 0.270004 F\n0.162022 0.751786 0.392018 F\n0.478208 0.751785 0.086190 F\n0.478208 0.251786 0.892018 F\n0.856194 0.251786 0.586189 F\n0.856194 0.751786 0.770003 F\n",
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"formula_full": "Li2 Cu2 F6",
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{
"id": "jvasp-102649",
"created_at": "2022-09-04T14:36:39.739368Z",
"updated_at": "2022-09-04T14:36:39.739392Z",
"structure_string": "Yb2 Ag1 Pd1\n1.0\n3.499842 -0.000000 0.000000\n0.000000 3.499842 0.000000\n-0.000000 0.000000 7.083992\nYb Ag Pd\n2 1 1\ndirect\n0.500000 0.500000 0.265815 Yb\n0.500000 0.500000 0.734185 Yb\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Pd\n",
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},
{
"id": "jvasp-3135",
"created_at": "2022-09-04T14:36:19.381643Z",
"updated_at": "2022-09-04T14:36:19.381663Z",
"structure_string": "Tb2 S2 F2\n1.0\n3.795492 0.000000 0.000000\n0.000000 3.795492 0.000000\n0.000000 0.000000 6.835687\nTb S F\n2 2 2\ndirect\n0.000000 0.500000 0.772264 Tb\n0.500000 0.000000 0.227736 Tb\n0.500000 0.000000 0.644734 S\n0.000000 0.500000 0.355267 S\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
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],
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"formula_full": "Tb2 S2 F2",
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"spacegroup": 129
},
{
"id": "jvasp-3930",
"created_at": "2022-09-04T14:36:31.603239Z",
"updated_at": "2022-09-04T14:36:31.603265Z",
"structure_string": "K5 Cu1 Sb2\n1.0\n5.636288 -0.001229 8.215333\n2.546317 5.028321 8.215333\n-0.002001 -0.001229 9.962903\nK Cu Sb\n5 1 2\ndirect\n0.500001 0.500000 0.499999 K\n0.364859 0.364858 0.364858 K\n0.635142 0.635141 0.635141 K\n0.217003 0.217003 0.217003 K\n0.782998 0.782997 0.782996 K\n0.000000 0.000000 0.000000 Cu\n0.089400 0.089400 0.089400 Sb\n0.910601 0.910599 0.910598 Sb\n",
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],
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},
{
"id": "jvasp-99604",
"created_at": "2022-09-04T14:36:39.779508Z",
"updated_at": "2022-09-04T14:36:39.779526Z",
"structure_string": "Rb3 In1\n1.0\n5.772131 -0.000000 3.332541\n1.924044 5.442017 3.332541\n-0.000000 -0.000000 6.665082\nRb In\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"density": 2.9442896465818986,
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"volume": 209.36378925000525,
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},
{
"id": "jvasp-100619",
"created_at": "2022-09-04T14:36:39.794538Z",
"updated_at": "2022-09-04T14:36:39.794568Z",
"structure_string": "Yb1 Pm1 Cd2\n1.0\n4.615717 0.000000 2.664886\n1.538572 4.351740 2.664886\n0.000000 0.000000 5.329772\nYb Pm Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500001 Pm\n0.750000 0.750000 0.750001 Cd\n0.250000 0.250000 0.250000 Cd\n",
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},
{
"id": "jvasp-101510",
"created_at": "2022-09-04T14:36:39.813236Z",
"updated_at": "2022-09-04T14:36:39.813253Z",
"structure_string": "Rb2 Ga1 Au1 Br6\n1.0\n6.585859 0.000000 3.802347\n2.195286 6.209207 3.802347\n0.000000 0.000000 7.604695\nRb Ga Au Br\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 Ga\n0.500000 0.500000 0.500000 Au\n0.756617 0.243384 0.243384 Br\n0.243384 0.243384 0.756616 Br\n0.243384 0.756617 0.756616 Br\n0.243384 0.756617 0.243384 Br\n0.756617 0.243384 0.756616 Br\n0.756617 0.756617 0.243384 Br\n",
"nsites": 10,
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{
"id": "jvasp-107624",
"created_at": "2022-09-04T14:36:31.416927Z",
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"structure_string": "Rb2 Sc1 Au1 I6\n1.0\n7.181039 -0.000000 4.145975\n2.393680 6.770348 4.145975\n-0.000000 -0.000000 8.291950\nRb Sc Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.499999 Au\n0.753911 0.246089 0.246088 I\n0.246089 0.246089 0.753911 I\n0.246089 0.753911 0.753911 I\n0.246089 0.753911 0.246088 I\n0.753911 0.246089 0.753911 I\n0.753911 0.753911 0.246088 I\n",
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}
]
}