Collection: 2dmaterials, Doc: 2dm-3611

Formula: MoCl3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-22853

Exfoliation energy: 70.1 meV/atom
Decomposition energy: 60.6 meV/atom

a: 5.86 Å
b: 5.86 Å

(c: 23.31 Å)

Spacegroup: C2/m

Magnetic moment: 1.9980362 μB/unit cell

Bandgap: 126.1 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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