Collection: 2dmaterials, Doc: 2dm-3391

Formula: HfSe3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-15622

Exfoliation energy: 47.3 meV/atom
Decomposition energy: 0.0 meV/atom

a: 3.74 Å
b: 5.44 Å

(c: 26.19 Å)

Spacegroup: Pmmn

Magnetic moment: -0.0 μB/unit cell

Bandgap: 360.3 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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