Collection: 2dmaterials, Doc: 2dm-3995

Formula: Li3Fe2F9

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-775687

Exfoliation energy: 87.7 meV/atom
Decomposition energy: 110.9 meV/atom

a: 5.30 Å
b: 5.30 Å

(c: 26.80 Å)

Spacegroup: P-6

Magnetic moment: 9.9996501 μB/unit cell

Bandgap: 4104.2 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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