Collection: 2dmaterials, Doc: 2dm-3686

Formula: HgI2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-23192

Exfoliation energy: 108.8 meV/atom
Decomposition energy: 13.7 meV/atom

a: 4.36 Å
b: 4.36 Å

(c: 23.54 Å)

Spacegroup: P-4m2

Magnetic moment: 0.0 μB/unit cell

Bandgap: 1858.5 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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