Collection: 2dmaterials, Doc: 2dm-3381

Formula: LiO2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1094129

Exfoliation energy: 143.4 meV/atom
Decomposition energy: 971.8 meV/atom

a: 3.30 Å
b: 3.30 Å

(c: 22.19 Å)

Spacegroup: P-3m1

Magnetic moment: 3.0047619 μB/unit cell

Bandgap: 631.4 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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