Collection: 2dmaterials, Doc: 2dm-3689

Formula: InCu(PSe3)2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-22449

Exfoliation energy: 74.9 meV/atom
Decomposition energy: 18.2 meV/atom

a: 6.44 Å
b: 6.44 Å

(c: 23.43 Å)

Spacegroup: P312

Magnetic moment: 0.0 μB/unit cell

Bandgap: 550.4 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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