Collection: 2dmaterials, Doc: 2dm-3836

Formula: CrCl3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-569890

Exfoliation energy: 50.8 meV/atom
Decomposition energy: 2.9 meV/atom

a: 5.98 Å
b: 5.98 Å

(c: 22.68 Å)

Spacegroup: P-31m

Magnetic moment: 6.0032201 μB/unit cell

Bandgap: 1613.5 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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