Collection: 2dmaterials, Doc: 2dm-3711

Formula: CuHgSCl

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-23567

Exfoliation energy: 102.8 meV/atom
Decomposition energy: 58.2 meV/atom

a: 3.97 Å
b: 9.90 Å

(c: 28.59 Å)

Spacegroup: Pmc2_1

Magnetic moment: -0.0 μB/unit cell

Bandgap: 675.5 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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