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"total_magnetization": 5.38e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:26.524000Z",
"spacegroup": 202
},
{
"id": "mp-698274",
"created_at": "2022-09-04T14:43:07.284810Z",
"structure_string": "Zn2 H16 C8 O16\n1.0\n6.714781 4.537650 0.000000\n-6.714781 4.537650 0.000000\n0.000000 1.105530 6.737581\nZn H C O\n2 16 8 16\ndirect\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.139901 0.444399 0.627984 H\n0.555601 0.860099 0.872016 H\n0.860099 0.555601 0.372016 H\n0.444399 0.139901 0.127984 H\n0.158527 0.649856 0.619553 H\n0.350144 0.841473 0.880447 H\n0.841473 0.350144 0.380447 H\n0.649856 0.158527 0.119553 H\n0.410413 0.283339 0.547525 H\n0.716661 0.589587 0.952475 H\n0.589587 0.716661 0.452475 H\n0.283339 0.410413 0.047525 H\n0.764247 0.516820 0.758659 H\n0.483180 0.235753 0.741341 H\n0.235753 0.483180 0.241341 H\n0.516820 0.764247 0.258659 H\n0.898865 0.049164 0.495550 C\n0.950836 0.101135 0.004450 C\n0.101135 0.950836 0.504450 C\n0.049164 0.898865 0.995550 C\n0.093993 0.130813 0.497459 C\n0.869188 0.906007 0.002541 C\n0.906007 0.869187 0.502541 C\n0.130813 0.093993 0.997459 C\n0.469795 0.893701 0.799940 O\n0.106299 0.530205 0.700060 O\n0.530205 0.106299 0.200060 O\n0.893701 0.469795 0.299940 O\n0.507453 0.249045 0.596158 O\n0.750955 0.492547 0.903842 O\n0.492547 0.750955 0.403842 O\n0.249045 0.507453 0.096158 O\n0.780547 0.115658 0.489408 O\n0.884342 0.219453 0.010592 O\n0.219453 0.884342 0.510592 O\n0.115658 0.780547 0.989408 O\n0.205953 0.289636 0.496069 O\n0.710364 0.794047 0.003931 O\n0.794047 0.710364 0.503931 O\n0.289636 0.205953 0.996069 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.0182321117088526,
"density_atomic": 0.1022945386080402,
"volume": 410.5791039434715,
"volume_molar": 5.887059897767278,
"formula_full": "Zn2 H16 C8 O16",
"formula_reduced": "ZnH8(CO2)4",
"formula_anonymous": "AB4C8D8",
"energy": -258.20941328,
"energy_per_atom": -6.1478431733333325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -247.21741328,
"band_gap": 2.6306,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.870000Z",
"spacegroup": 15
}
]
}