Collection: 2dmaterials, Doc: 2dm-3939

Formula: ZrTe2Br5

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-28671

Exfoliation energy: 126.9 meV/atom
Decomposition energy: 0.0 meV/atom

a: 9.28 Å
b: 11.44 Å

(c: 23.70 Å)

Spacegroup: P2/m

Magnetic moment: -0.0 μB/unit cell

Bandgap: 1122.6 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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