Collection: 2dmaterials, Doc: 2dm-3096

Formula: HgNCl

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1077462

Exfoliation energy: 417.6 meV/atom
Decomposition energy: 1336.3 meV/atom

a: 3.95 Å
b: 7.40 Å

(c: 22.80 Å)

Spacegroup: Pmma

Magnetic moment: 4.0014585 μB/unit cell

Bandgap: 170.6 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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