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"formula_full": "K4 Hf4 Pd4 F28",
"formula_reduced": "KHfPdF7",
"formula_anonymous": "ABCD7",
"energy_above_hull": 0.3240028677500007,
"spacegroup": 52
},
{
"id": "jvasp-99592",
"created_at": "2022-09-04T14:36:45.221817Z",
"updated_at": "2022-09-04T14:36:45.221841Z",
"structure_string": "K2 Hg1 As1 Br6\n1.0\n6.778895 -0.000000 3.913797\n2.259632 6.391204 3.913797\n-0.000000 -0.000000 7.827594\nK Hg As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.759750 0.240250 0.240250 Br\n0.240250 0.240250 0.759750 Br\n0.240250 0.759749 0.759750 Br\n0.240250 0.759749 0.240251 Br\n0.759750 0.240250 0.759750 Br\n0.759750 0.759749 0.240251 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Hg",
"As",
"Br"
],
"chemical_system": "As-Br-Hg-K",
"density": 4.0793703852617424,
"density_atomic": 0.029486968191496276,
"volume": 339.1328649000914,
"volume_molar": 20.42305848770414,
"formula_full": "K2 Hg1 As1 Br6",
"formula_reduced": "K2HgAsBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102874",
"created_at": "2022-09-04T14:36:35.412692Z",
"updated_at": "2022-09-04T14:36:35.412712Z",
"structure_string": "K2 Hg1 As1 Cl6\n1.0\n6.463869 -0.000000 3.731917\n2.154623 6.094194 3.731917\n-0.000000 -0.000000 7.463833\nK Hg As Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.762864 0.237136 0.237137 Cl\n0.237136 0.237136 0.762864 Cl\n0.237136 0.762863 0.762864 Cl\n0.237136 0.762863 0.237137 Cl\n0.762864 0.237136 0.762864 Cl\n0.762864 0.762863 0.237137 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Hg",
"As",
"Cl"
],
"chemical_system": "As-Cl-Hg-K",
"density": 3.1990549182392267,
"density_atomic": 0.03401177244849292,
"volume": 294.0158445180679,
"volume_molar": 17.70604801358079,
"formula_full": "K2 Hg1 As1 Cl6",
"formula_reduced": "K2HgAsCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}