Collection: 2dmaterials, Doc: 2dm-3776

Formula: IrCl3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-27666

Exfoliation energy: 73.3 meV/atom
Decomposition energy: 1.6 meV/atom

a: 6.08 Å
b: 6.08 Å

(c: 22.53 Å)

Spacegroup: P-31m

Magnetic moment: -0.0 μB/unit cell

Bandgap: 2134.0 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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