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"Mg",
"O"
],
"chemical_system": "Mg-O",
"density": 1.653036229089683,
"density_atomic": 0.04622307368462414,
"volume": 64.90265057812316,
"volume_molar": 13.02842991595177,
"formula_full": "Mg2 O1",
"formula_reduced": "Mg2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3860630166666667,
"spacegroup": 25
},
{
"id": "jvasp-101784",
"created_at": "2022-09-04T14:36:58.111489Z",
"updated_at": "2022-09-04T14:36:58.111514Z",
"structure_string": "H8 C4 O4\n1.0\n3.582262 0.000000 0.000000\n0.000000 4.630542 0.000000\n0.000000 0.000000 7.272223\nH C O\n8 4 4\ndirect\n0.008985 0.640978 0.207603 H\n0.313078 0.422642 0.065597 H\n0.508985 0.859021 0.792396 H\n0.813078 0.077358 0.934403 H\n0.491015 0.359021 0.707603 H\n0.186922 0.577357 0.565596 H\n0.991014 0.140979 0.292396 H\n0.686921 0.922642 0.434403 H\n0.339227 0.371928 0.576575 C\n0.839227 0.128072 0.423424 C\n0.160773 0.628072 0.076575 C\n0.660772 0.871927 0.923424 C\n0.091732 0.132169 0.575071 O\n0.591732 0.367831 0.424928 O\n0.408268 0.867831 0.075072 O\n0.908268 0.632169 0.924928 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.6532933466394615,
"density_atomic": 0.1326366733671976,
"volume": 120.63028718840717,
"volume_molar": 4.540328558548828,
"formula_full": "H8 C4 O4",
"formula_reduced": "H2CO",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2742158749999994,
"spacegroup": 19
}
]
}