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{
"id": "mp-1112651",
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"structure_string": "Cs3 In1 Br6\n1.0\n0.000000 6.114920 6.114920\n6.114920 0.000000 6.114920\n6.114920 6.114920 0.000000\nCs In Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 In\n0.778282 0.221718 0.221718 Br\n0.221718 0.221718 0.778282 Br\n0.221718 0.778282 0.778282 Br\n0.221718 0.778282 0.221718 Br\n0.778282 0.221718 0.778282 Br\n0.778282 0.778282 0.221718 Br\n",
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{
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"structure_string": "Cs3 Tl1 Br6\n1.0\n0.000000 6.185146 6.185146\n6.185146 0.000000 6.185146\n6.185146 6.185146 0.000000\nCs Tl Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Tl\n0.774837 0.225163 0.225163 Br\n0.225163 0.225163 0.774837 Br\n0.225163 0.774837 0.774837 Br\n0.225163 0.774837 0.225163 Br\n0.774837 0.225163 0.774837 Br\n0.774837 0.774837 0.225163 Br\n",
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{
"id": "mp-1112645",
"created_at": "2022-09-04T14:47:30.091028Z",
"structure_string": "Cs3 Y1 Br6\n1.0\n0.000000 6.227751 6.227751\n6.227751 0.000000 6.227751\n6.227751 6.227751 0.000000\nCs Y Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Y\n0.775060 0.224940 0.224940 Br\n0.224940 0.224940 0.775060 Br\n0.224940 0.775060 0.775060 Br\n0.224940 0.775060 0.224940 Br\n0.775060 0.224940 0.775060 Br\n0.775060 0.775060 0.224940 Br\n",
"nsites": 10,
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"elements": [
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"density": 3.324088720501526,
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"volume": 483.08518177272646,
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"formula_full": "Cs3 Y1 Br6",
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"formula_anonymous": "AB3C6",
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"updated_at": "2021-11-28T01:38:08.383000Z",
"spacegroup": 225
},
{
"id": "mp-1112643",
"created_at": "2022-09-04T14:42:10.967264Z",
"structure_string": "Cs2 In2 I6\n1.0\n0.000000 6.230418 6.230418\n6.230418 0.000000 6.230418\n6.230418 6.230418 0.000000\nCs In I\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.760228 0.239772 0.239772 I\n0.239772 0.239772 0.760228 I\n0.239772 0.760228 0.760228 I\n0.239772 0.760228 0.239772 I\n0.760228 0.239772 0.760228 I\n0.760228 0.760228 0.239772 I\n",
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"formula_full": "Cs2 In2 I6",
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"formula_anonymous": "ABC3",
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{
"id": "mp-1112641",
"created_at": "2022-09-04T14:40:59.274557Z",
"structure_string": "Cs2 Nb1 Au1 F6\n1.0\n0.000000 5.028617 5.028617\n5.028617 0.000000 5.028617\n5.028617 5.028617 0.000000\nCs Nb Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Au\n0.807335 0.192665 0.192665 F\n0.192665 0.192665 0.807335 F\n0.192665 0.807335 0.807335 F\n0.192665 0.807335 0.192665 F\n0.807335 0.192665 0.807335 F\n0.807335 0.807335 0.192665 F\n",
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"volume": 254.31716485146345,
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"updated_at": "2021-11-28T01:35:23.230000Z",
"spacegroup": 225
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{
"id": "mp-1112640",
"created_at": "2022-09-04T14:43:54.647261Z",
"structure_string": "Cs2 Hg1 Au1 F6\n1.0\n0.000000 4.626953 4.626953\n4.626953 0.000000 4.626953\n4.626953 4.626953 0.000000\nCs Hg Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n0.753014 0.246986 0.246986 F\n0.246986 0.246986 0.753014 F\n0.246986 0.753014 0.753014 F\n0.246986 0.753014 0.246986 F\n0.753014 0.246986 0.753014 F\n0.753014 0.753014 0.246986 F\n",
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{
"id": "mp-1112639",
"created_at": "2022-09-04T14:42:55.913589Z",
"structure_string": "Cs2 V1 Ag1 F6\n1.0\n6.334072 0.000000 0.000000\n3.167036 5.485467 0.000000\n3.167036 1.828489 5.171748\nCs V Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Ag\n0.220294 0.779706 0.220294 F\n0.779706 0.779706 0.220294 F\n0.779706 0.220294 0.779706 F\n0.779706 0.220294 0.220294 F\n0.220294 0.779706 0.779706 F\n0.220294 0.220294 0.779706 F\n",
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"volume": 179.69415781594057,
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{
"id": "mp-1112637",
"created_at": "2022-09-04T14:44:47.652443Z",
"structure_string": "Cs2 Tl1 Cu1 F6\n1.0\n0.000000 4.490448 4.490448\n4.490448 0.000000 4.490448\n4.490448 4.490448 0.000000\nCs Tl Cu F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cu\n0.732862 0.267138 0.267138 F\n0.267138 0.267138 0.732862 F\n0.267138 0.732862 0.732862 F\n0.267138 0.732862 0.267138 F\n0.732862 0.267138 0.732862 F\n0.732862 0.732862 0.267138 F\n",
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{
"id": "mp-1112633",
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"structure_string": "Cs2 Gd1 Au1 Cl6\n1.0\n0.000000 5.461111 5.461111\n5.461111 0.000000 5.461111\n5.461111 5.461111 0.000000\nCs Gd Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Au\n0.754827 0.245173 0.245173 Cl\n0.245173 0.245173 0.754827 Cl\n0.245173 0.754827 0.754827 Cl\n0.245173 0.754827 0.245173 Cl\n0.754827 0.245173 0.754827 Cl\n0.754827 0.754827 0.245173 Cl\n",
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{
"id": "mp-1112632",
"created_at": "2022-09-04T14:42:10.692881Z",
"structure_string": "Cs2 As1 Au1 Br6\n1.0\n0.000000 5.533387 5.533387\n5.533387 0.000000 5.533387\n5.533387 5.533387 0.000000\nCs As Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 Au\n0.755604 0.244396 0.244396 Br\n0.244396 0.244396 0.755604 Br\n0.244396 0.755604 0.755604 Br\n0.244396 0.755604 0.244396 Br\n0.755604 0.244396 0.755604 Br\n0.755604 0.755604 0.244396 Br\n",
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{
"id": "mp-1112631",
"created_at": "2022-09-04T14:46:22.858279Z",
"structure_string": "Cs2 Sc1 Au1 Br6\n1.0\n0.000000 5.572924 5.572924\n5.572924 0.000000 5.572924\n5.572924 5.572924 0.000000\nCs Sc Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Au\n0.759275 0.240725 0.240725 Br\n0.240725 0.240725 0.759275 Br\n0.240725 0.759275 0.759275 Br\n0.240725 0.759275 0.240725 Br\n0.759275 0.240725 0.759275 Br\n0.759275 0.759275 0.240725 Br\n",
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{
"id": "mp-1112630",
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"structure_string": "Cs2 Sc1 Hg1 Br6\n1.0\n0.000000 5.743941 5.743941\n5.743941 0.000000 5.743941\n5.743941 5.743941 0.000000\nCs Sc Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Hg\n0.767407 0.232593 0.232593 Br\n0.232593 0.232593 0.767407 Br\n0.232593 0.767407 0.767407 Br\n0.232593 0.767407 0.232593 Br\n0.767407 0.232593 0.767407 Br\n0.767407 0.767407 0.232593 Br\n",
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}
]
}