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"created_at": "2022-09-04T14:37:02.287180Z",
"updated_at": "2022-09-04T14:37:02.287198Z",
"structure_string": "Mg5 H2 O6\n1.0\n1.514278 -2.622806 0.000000\n1.514278 2.622806 -0.000000\n-0.000000 -0.000000 14.712891\nMg H O\n5 2 6\ndirect\n0.666668 0.333334 0.668569 Mg\n0.333334 0.666668 0.331431 Mg\n0.333334 0.666668 0.834604 Mg\n0.666668 0.333334 0.165396 Mg\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666668 0.529750 H\n0.666668 0.333334 0.470250 H\n0.333334 0.666668 0.082705 O\n0.666668 0.333334 0.917295 O\n0.000000 0.000000 0.248229 O\n0.666668 0.333334 0.404289 O\n0.333334 0.666668 0.595711 O\n0.000000 0.000000 0.751771 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 3.119303137871891,
"density_atomic": 0.11123553752977912,
"volume": 116.86912553930654,
"volume_molar": 5.4138640345831925,
"formula_full": "Mg5 H2 O6",
"formula_reduced": "Mg5(HO3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 1.2548150961538458,
"spacegroup": 164
}
]
}