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{
"id": "jvasp-86419",
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"structure_string": "Au1 O2 F6\n1.0\n5.101059 -0.187166 -0.046476\n-1.263403 4.536767 -0.824139\n0.006878 0.202706 5.191991\nAu O F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Au\n0.560729 0.617679 0.475298 O\n0.439273 0.382322 0.524701 O\n0.685388 0.029679 0.806613 F\n0.100851 0.813267 0.677969 F\n0.899150 0.186734 0.322030 F\n0.224911 0.382674 0.929053 F\n0.775090 0.617327 0.070945 F\n0.314613 0.970322 0.193386 F\n",
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{
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{
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"structure_string": "As1 I2\n1.0\n5.572429 0.704869 -0.482613\n3.417061 -2.396273 -0.169686\n2.215342 0.035619 -7.252349\nAs I\n1 2\ndirect\n0.223796 0.183548 0.914950 As\n0.369203 0.590727 0.625555 I\n0.079115 0.591419 0.204376 I\n",
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{
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"created_at": "2022-09-04T14:36:46.004371Z",
"updated_at": "2022-09-04T14:36:46.004398Z",
"structure_string": "Pd1 Se2 Br6\n1.0\n4.655152 -0.134872 -0.123127\n-0.413425 7.000646 0.003691\n-1.029467 -2.515726 8.539883\nPd Se Br\n1 2 6\ndirect\n0.000000 0.500000 0.500000 Pd\n0.661365 0.260889 0.288119 Se\n0.338635 0.739111 0.711880 Se\n0.325002 0.638954 0.347786 Br\n0.674998 0.361046 0.652213 Br\n0.737853 0.306874 0.043785 Br\n0.077726 0.020439 0.714976 Br\n0.922273 -0.020439 0.285023 Br\n0.262146 0.693126 0.956214 Br\n",
"nsites": 9,
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"volume": 276.85898610554307,
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"formula_full": "Pd1 Se2 Br6",
"formula_reduced": "Pd(SeBr3)2",
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{
"id": "jvasp-74219",
"created_at": "2022-09-04T14:36:17.365084Z",
"updated_at": "2022-09-04T14:36:17.365113Z",
"structure_string": "Li1 Ca2 Be1\n1.0\n-2.296656 2.296656 4.631540\n2.296656 -2.296656 4.631540\n2.296656 2.296656 -4.631540\nLi Ca Be\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750001 0.500001 Ca\n0.750001 0.250000 0.500001 Be\n",
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{
"id": "jvasp-86379",
"created_at": "2022-09-04T14:36:03.906458Z",
"updated_at": "2022-09-04T14:36:03.906480Z",
"structure_string": "Mg3 Sb2\n1.0\n4.581611 0.000000 -0.000000\n-2.290806 3.967792 0.000000\n0.000000 -0.000000 7.286212\nMg Sb\n3 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333332 0.666667 0.367754 Mg\n0.666666 0.333333 0.632245 Mg\n0.333332 0.666667 0.772907 Sb\n0.666666 0.333333 0.227093 Sb\n",
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{
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"created_at": "2022-09-04T14:36:07.354103Z",
"updated_at": "2022-09-04T14:36:07.354123Z",
"structure_string": "Mg3 Sb2\n1.0\n4.581611 0.000000 -0.000000\n-2.290806 3.967792 0.000000\n0.000000 -0.000000 7.286212\nMg Sb\n3 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333332 0.666667 0.367754 Mg\n0.666666 0.333333 0.632245 Mg\n0.333332 0.666667 0.772907 Sb\n0.666666 0.333333 0.227093 Sb\n",
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{
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"created_at": "2022-09-04T14:37:45.494729Z",
"updated_at": "2022-09-04T14:37:45.494758Z",
"structure_string": "Sc2 Cl2 O2\n1.0\n3.558360 -0.000000 0.000000\n-0.000000 3.558360 0.000000\n0.000000 0.000000 7.685577\nSc Cl O\n2 2 2\ndirect\n0.500000 0.000000 0.139238 Sc\n0.000000 0.500000 0.860762 Sc\n0.500000 0.000000 0.669695 Cl\n0.000000 0.500000 0.330306 Cl\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"spacegroup": 129
},
{
"id": "jvasp-30476",
"created_at": "2022-09-04T14:37:11.671597Z",
"updated_at": "2022-09-04T14:37:11.671617Z",
"structure_string": "Ru2 F8\n1.0\n5.511166 0.000135 0.062298\n0.000120 4.958212 -0.000055\n-2.711004 -0.000118 4.584355\nRu F\n2 8\ndirect\n0.000000 0.000000 0.000000 Ru\n0.500001 0.499998 0.500000 Ru\n0.126563 0.665045 0.236754 F\n0.625929 0.638155 0.260375 F\n0.874071 0.138178 0.239638 F\n0.373447 0.165027 0.263239 F\n0.626551 0.834970 0.736758 F\n0.125929 0.861819 0.760357 F\n0.374073 0.361843 0.739625 F\n0.873439 0.334956 0.763246 F\n",
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{
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"created_at": "2022-09-04T14:37:48.932970Z",
"updated_at": "2022-09-04T14:37:48.932990Z",
"structure_string": "In1 Ga1 Cu2 Se4\n1.0\n5.262019 0.018931 -4.691549\n-1.044540 5.157338 -4.691549\n-0.015424 -0.018931 7.049768\nIn Ga Cu Se\n1 1 2 4\ndirect\n0.500000 0.500000 -0.000000 In\n0.750001 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.105043 0.101903 0.468581 Se\n0.633323 0.636463 0.531420 Se\n0.363538 0.894958 0.996861 Se\n0.898097 0.366677 0.003140 Se\n",
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{
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{
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"structure_string": "Y1 O1 F2\n1.0\n-1.713461 3.913947 2.180531\n1.713461 -3.913947 2.180531\n1.713461 3.913947 -2.180531\nY O F\n1 1 2\ndirect\n0.501669 0.001669 0.500000 Y\n0.001670 0.501670 0.499999 O\n0.324758 0.501618 0.823140 F\n0.678476 0.501617 0.176860 F\n",
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