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{
"id": "mp-1007660",
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"structure_string": "Ir2 N2\n1.0\n2.743726 0.000000 0.000000\n0.000000 2.743726 0.000000\n0.000000 0.000000 6.047982\nIr N\n2 2\ndirect\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.000000 0.000000 0.750000 N\n0.000000 0.000000 0.250000 N\n",
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{
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"structure_string": "K1 Ru1 O3\n1.0\n3.939277 0.000000 0.000000\n0.000000 3.939277 0.000000\n0.000000 0.000000 3.939277\nK Ru O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
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{
"id": "mp-1028207",
"created_at": "2022-09-04T14:46:06.250130Z",
"structure_string": "Mg14 Al1 Fe1\n1.0\n6.261968 0.000000 0.000000\n-3.130984 5.423023 -0.000000\n0.000000 -0.000000 9.854830\nMg Al Fe\n14 1 1\ndirect\n0.168096 0.834048 0.125000 Mg\n0.164751 0.832375 0.625000 Mg\n0.665952 0.331904 0.125000 Mg\n0.667625 0.335249 0.625000 Mg\n0.665952 0.834048 0.125000 Mg\n0.667625 0.832375 0.625000 Mg\n0.324277 0.175723 0.385180 Mg\n0.324277 0.175723 0.864820 Mg\n0.324277 0.648555 0.385180 Mg\n0.324277 0.648555 0.864820 Mg\n0.851445 0.175723 0.385180 Mg\n0.851445 0.175723 0.864820 Mg\n0.833333 0.666667 0.372755 Mg\n0.833333 0.666667 0.877245 Mg\n0.166667 0.333333 0.125000 Al\n0.166667 0.333333 0.625000 Fe\n",
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},
{
"id": "mp-1111469",
"created_at": "2022-09-04T14:40:12.454480Z",
"structure_string": "Rb2 Ag1 Au1 Cl6\n1.0\n0.000000 5.167795 5.167795\n5.167795 0.000000 5.167795\n5.167795 5.167795 0.000000\nRb Ag Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.752659 0.247341 0.247341 Cl\n0.247341 0.247341 0.752659 Cl\n0.247341 0.752659 0.752659 Cl\n0.247341 0.752659 0.247341 Cl\n0.752659 0.247341 0.752659 Cl\n0.752659 0.752659 0.247341 Cl\n",
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"formula_full": "Rb2 Ag1 Au1 Cl6",
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"formula_anonymous": "ABC2D6",
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{
"id": "mp-1207160",
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"structure_string": "Rb2 Sb1 Cl6\n1.0\n0.000000 5.242166 5.242166\n5.242166 0.000000 5.242166\n5.242166 5.242166 0.000000\nRb Sb Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Sb\n0.757871 0.242129 0.242129 Cl\n0.242129 0.757871 0.757871 Cl\n0.242129 0.757871 0.242129 Cl\n0.757871 0.242129 0.757871 Cl\n0.242129 0.242129 0.757871 Cl\n0.757871 0.757871 0.242129 Cl\n",
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"density": 2.9129546125925088,
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{
"id": "mp-1227436",
"created_at": "2022-09-04T14:42:52.168543Z",
"structure_string": "Ca2 Ga7 Au1\n1.0\n4.269331 0.000000 0.000000\n0.000000 4.269331 0.000000\n0.000000 0.000000 11.290151\nCa Ga Au\n2 7 1\ndirect\n0.000000 0.000000 0.000554 Ca\n0.500000 0.500000 0.499630 Ca\n0.000000 0.500000 0.251293 Ga\n0.500000 0.000000 0.749169 Ga\n0.500000 0.000000 0.251293 Ga\n0.000000 0.500000 0.749169 Ga\n0.000000 0.000000 0.610433 Ga\n0.000000 0.000000 0.390215 Ga\n0.500000 0.500000 0.887428 Ga\n0.500000 0.500000 0.110817 Au\n",
"nsites": 10,
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],
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"density": 6.174408073398578,
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"volume": 205.787695652829,
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"energy": -32.91206308,
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"spacegroup": 99
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{
"id": "mp-1185297",
"created_at": "2022-09-04T14:46:24.502236Z",
"structure_string": "Li1 Ac1 O3\n1.0\n3.919444 0.000000 0.000000\n0.000000 3.919444 0.000000\n0.000000 0.000000 3.919444\nLi Ac O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
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"density": 7.775550911967442,
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"formula_full": "Li1 Ac1 O3",
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},
{
"id": "mp-1026440",
"created_at": "2022-09-04T14:39:27.964162Z",
"structure_string": "Hf1 Mg14 Cd1\n1.0\n6.396183 0.000000 0.000000\n-3.198091 5.539256 0.000000\n-0.000000 0.000000 10.156946\nHf Mg Cd\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Hf\n0.165048 0.832523 0.125000 Mg\n0.171428 0.835713 0.625000 Mg\n0.667477 0.334952 0.125000 Mg\n0.664287 0.328572 0.625000 Mg\n0.667477 0.832523 0.125000 Mg\n0.664287 0.835713 0.625000 Mg\n0.330596 0.169404 0.375470 Mg\n0.330596 0.169404 0.874530 Mg\n0.330596 0.661194 0.375470 Mg\n0.330596 0.661194 0.874530 Mg\n0.838806 0.169404 0.375470 Mg\n0.838806 0.169404 0.874530 Mg\n0.833333 0.666667 0.376996 Mg\n0.833333 0.666667 0.873004 Mg\n0.166667 0.333333 0.125000 Cd\n",
"nsites": 16,
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],
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"density": 2.912464717023106,
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{
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"structure_string": "Mg14 Cd1 Mo1\n1.0\n6.304282 0.000000 0.000000\n-3.152141 5.459668 0.000000\n-0.000000 -0.000000 9.962351\nMg Cd Mo\n14 1 1\ndirect\n0.167634 0.833816 0.125000 Mg\n0.166941 0.833470 0.625000 Mg\n0.666184 0.332366 0.125000 Mg\n0.666530 0.333059 0.625000 Mg\n0.666184 0.833816 0.125000 Mg\n0.666530 0.833470 0.625000 Mg\n0.326882 0.173118 0.367863 Mg\n0.326882 0.173118 0.882137 Mg\n0.326882 0.653766 0.367863 Mg\n0.326882 0.653766 0.882137 Mg\n0.846234 0.173118 0.367863 Mg\n0.846234 0.173118 0.882137 Mg\n0.833333 0.666667 0.374086 Mg\n0.833333 0.666667 0.875914 Mg\n0.166667 0.333333 0.625000 Cd\n0.166667 0.333333 0.125000 Mo\n",
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{
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{
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"structure_string": "Ba1 Mn2 As2\n1.0\n4.121834 0.000282 0.000113\n0.000282 4.121824 0.000108\n2.061240 2.061226 6.671780\nBa Mn As\n1 2 2\ndirect\n0.999998 0.999998 0.000001 Ba\n0.250076 0.749973 0.499985 Mn\n0.749930 0.250033 0.500011 Mn\n0.642030 0.642029 0.715764 As\n0.357966 0.357967 0.284239 As\n",
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{
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"structure_string": "Mg1 Al1 O3\n1.0\n3.674304 0.000000 0.000000\n0.000000 3.674304 0.000000\n0.000000 0.000000 3.674304\nMg Al O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Al\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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]
}