Collection: 2dmaterials, Doc: 2dm-3847

Formula: ZrTe5

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-605

Exfoliation energy: 90.4 meV/atom
Decomposition energy: 0.0 meV/atom

a: 4.05 Å
b: 13.87 Å

(c: 25.42 Å)

Spacegroup: Pmmn

Magnetic moment: -0.0 μB/unit cell

Bandgap: 22.6 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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