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"band_gap": 1.5862999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.435000Z",
"spacegroup": 11
},
{
"id": "mp-1518358",
"created_at": "2022-09-04T14:41:15.211395Z",
"structure_string": "Na1 Nd1 Hf1 Sn1 O6\n1.0\n0.000000 -4.078157 -4.078157\n4.078157 0.000000 -4.078157\n4.078157 -4.078157 0.000000\nNa Nd Hf Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Sn\n0.749616 0.250384 0.250384 O\n0.250384 0.749616 0.749616 O\n0.749616 0.250384 0.749616 O\n0.250384 0.749616 0.250384 O\n0.749616 0.749616 0.250384 O\n0.250384 0.250384 0.749616 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Nd",
"Hf",
"Sn",
"O"
],
"chemical_system": "Hf-Na-Nd-O-Sn",
"density": 6.860365193754316,
"density_atomic": 0.07371878706444746,
"volume": 135.65063124624749,
"volume_molar": 8.169071955477564,
"formula_full": "Na1 Nd1 Hf1 Sn1 O6",
"formula_reduced": "NaNdHfSnO6",
"formula_anonymous": "ABCDE6",
"energy": -79.28184181,
"energy_per_atom": -7.928184181000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.15984181,
"band_gap": 3.3638,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0007135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.899000Z",
"spacegroup": 216
}
]
}