Collection: 2dmaterials, Doc: 2dm-3809

Formula: HfS3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-9922

Exfoliation energy: 50.9 meV/atom
Decomposition energy: 0.0 meV/atom

a: 3.60 Å
b: 5.14 Å

(c: 25.89 Å)

Spacegroup: Pmmn

Magnetic moment: 0.0 μB/unit cell

Bandgap: 1146.8 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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