Collection: 2dmaterials, Doc: 2dm-3962

Formula: CrCu(PS3)2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-572465

Exfoliation energy: meV/atom
Decomposition energy: 0.4 meV/atom

a: 5.97 Å
b: 10.35 Å

(c: 23.35 Å)

Spacegroup: P2_1

Magnetic moment: 6.0173612 μB/unit cell

Bandgap: 1012.8 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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