Collection: 2dmaterials, Doc: 2dm-3584

Formula: CuBiS2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-22982

Exfoliation energy: 188.4 meV/atom
Decomposition energy: 102.1 meV/atom

a: 3.88 Å
b: 6.17 Å

(c: 25.44 Å)

Spacegroup: Pmc2_1

Magnetic moment: -0.0 μB/unit cell

Bandgap: 244.8 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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