Collection: 2dmaterials, Doc: 2dm-3878

Formula: KH2I3O

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-696649

Exfoliation energy: 75.5 meV/atom
Decomposition energy: 38.4 meV/atom

a: 4.52 Å
b: 8.45 Å

(c: 29.21 Å)

Spacegroup: Pc

Magnetic moment: 0.0 μB/unit cell

Bandgap: 1943.6 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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