Collection: 2dmaterials, Doc: 2dm-3747

Formula: ZrSe3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1683

Exfoliation energy: 54.4 meV/atom
Decomposition energy: 0.0 meV/atom

a: 3.78 Å
b: 5.48 Å

(c: 26.26 Å)

Spacegroup: Pmmn

Magnetic moment: -0.0 μB/unit cell

Bandgap: 448.2 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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