Collection: 2dmaterials, Doc: 2dm-3623

Formula: CrI2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-27215

Exfoliation energy: 85.0 meV/atom
Decomposition energy: 0.0 meV/atom

a: 3.94 Å
b: 4.27 Å

(c: 23.27 Å)

Spacegroup: C2/m

Magnetic moment: 4.0023242 μB/unit cell

Bandgap: 253.1 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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