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"structure_string": "Al2 Au1\n1.0\n3.709595 0.000000 2.141736\n1.236531 3.497440 2.141736\n0.000000 -0.000000 4.283472\nAl Au\n2 1\ndirect\n0.750001 0.750000 0.750001 Al\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"Au"
],
"chemical_system": "Al-Au",
"density": 7.49770534820687,
"density_atomic": 0.05398194794829735,
"volume": 55.57413383587657,
"volume_molar": 11.155841885824248,
"formula_full": "Al2 Au1",
"formula_reduced": "Al2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9646443900000002,
"spacegroup": 225
},
{
"id": "jvasp-118170",
"created_at": "2022-09-04T14:38:50.831076Z",
"updated_at": "2022-09-04T14:38:50.831102Z",
"structure_string": "Al2 As1\n1.0\n3.876043 0.000000 0.000000\n0.000000 2.830966 0.000000\n0.000000 0.000000 6.199574\nAl As\n2 1\ndirect\n-0.033333 0.000000 0.716220 Al\n-0.033333 0.000000 0.283779 Al\n0.466665 0.000000 0.000000 As\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"As"
],
"chemical_system": "Al-As",
"density": 3.1460476597665754,
"density_atomic": 0.04409975397291887,
"volume": 68.02759039976196,
"volume_molar": 13.65572416503304,
"formula_full": "Al2 As1",
"formula_reduced": "Al2As",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7235991166666669,
"spacegroup": 47
}
]
}