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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.355000Z",
"spacegroup": 186
},
{
"id": "mp-1225811",
"created_at": "2022-09-04T14:39:07.881412Z",
"structure_string": "Cu2 S1\n1.0\n-3.061523 0.130361 -2.736761\n3.061523 -2.736761 0.130361\n-3.061523 -2.736761 0.130361\nCu S\n2 1\ndirect\n0.613399 0.290688 0.095913 Cu\n0.613399 0.709312 0.677289 Cu\n0.941602 0.000000 0.058398 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"S"
],
"chemical_system": "Cu-S",
"density": 5.7759055067043645,
"density_atomic": 0.0655641586418188,
"volume": 45.75670705071032,
"volume_molar": 9.1851110191154,
"formula_full": "Cu2 S1",
"formula_reduced": "Cu2S",
"formula_anonymous": "AB2",
"energy": -13.08300487,
"energy_per_atom": -4.361001623333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.58000487,
"band_gap": 0.1604999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002146,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.020000Z",
"spacegroup": 44
}
]
}