Collection: 2dmaterials, Doc: 2dm-4044

Formula: CuHgSBr

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-554879

Exfoliation energy: 99.8 meV/atom
Decomposition energy: 71.6 meV/atom

a: 4.02 Å
b: 10.02 Å

(c: 28.95 Å)

Spacegroup: Pmc2_1

Magnetic moment: 0.0 μB/unit cell

Bandgap: 549.8 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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