Collection: twodmaterials, Doc: 2dm-4289

Formula: CrPS4

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-542096

Exfoliation energy: 71.6 meV/atom
Decomposition energy: 0.0 meV/atom

a: 6.55 Å
b: 6.55 Å

(c: 23.71 Å)

Spacegroup: C2/m

Magnetic moment: 6.0030249 μB/unit cell

Bandgap: 734.9 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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