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"structure_string": "Hg4 As4 O16\n1.0\n9.936800 0.000000 0.000000\n-0.000000 3.867694 2.893039\n-0.000000 -0.656017 8.482150\nHg As O\n4 4 16\ndirect\n0.996197 0.183559 0.756617 Hg\n0.503803 0.183559 0.256617 Hg\n0.003803 0.816440 0.243384 Hg\n0.496197 0.816439 0.743384 Hg\n0.805418 0.511420 -0.040247 As\n0.694582 0.511420 0.459753 As\n0.194582 0.488579 0.040247 As\n0.305418 0.488579 0.540247 As\n0.868021 0.461012 0.457211 O\n0.631979 0.461011 0.957211 O\n0.343627 0.823340 0.322119 O\n0.156373 0.823340 0.822119 O\n0.656373 0.176658 0.677882 O\n0.843627 0.176658 0.177882 O\n0.382017 0.419967 0.739317 O\n0.356776 0.153804 0.527554 O\n0.617983 0.580032 0.260684 O\n0.882017 0.580031 0.760684 O\n0.368021 0.538987 0.042790 O\n0.143224 0.153805 0.027554 O\n0.643224 0.846194 0.472446 O\n0.856776 0.846194 -0.027554 O\n0.117983 0.419967 0.239317 O\n0.131979 0.538986 0.542790 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hg",
"As",
"O"
],
"chemical_system": "As-Hg-O",
"density": 6.539303682829474,
"density_atomic": 0.06959565266094926,
"volume": 344.8491260929954,
"volume_molar": 8.653041576229196,
"formula_full": "Hg4 As4 O16",
"formula_reduced": "HgAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7938767249999996,
"spacegroup": 14
},
{
"id": "jvasp-121982",
"created_at": "2022-09-04T14:38:50.551271Z",
"updated_at": "2022-09-04T14:38:50.551299Z",
"structure_string": "Ca2 I4 O8\n1.0\n9.177466 0.000000 0.000000\n-0.000000 3.584682 1.084163\n0.000000 -0.745228 7.054594\nCa I O\n2 4 8\ndirect\n0.500000 -0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.864914 0.731922 0.615193 I\n0.364914 0.268076 0.884806 I\n0.135086 0.268077 0.384806 I\n0.635087 0.731922 0.115194 I\n0.354260 0.464725 0.604152 O\n0.854260 0.535273 0.895847 O\n0.645741 0.535273 0.395847 O\n0.145741 0.464726 0.104152 O\n0.050756 -0.039490 0.677805 O\n0.550756 0.039489 0.822195 O\n0.949244 0.039489 0.322195 O\n0.449244 -0.039490 0.177805 O\n",
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"nelements": 3,
"elements": [
"Ca",
"I",
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],
"chemical_system": "Ca-I-O",
"density": 4.962702422260757,
"density_atomic": 0.05845534647297887,
"volume": 239.49905089471218,
"volume_molar": 10.302121402674006,
"formula_full": "Ca2 I4 O8",
"formula_reduced": "Ca(IO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.236439567142857,
"spacegroup": 14
}
]
}