Collection: 2dmaterials, Doc: 2dm-3542

Formula: ZrSe2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-2076

Exfoliation energy: 95.4 meV/atom
Decomposition energy: 0.0 meV/atom

a: 3.81 Å
b: 3.81 Å

(c: 23.19 Å)

Spacegroup: P-3m1

Magnetic moment: -0.0 μB/unit cell

Bandgap: 458.8 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

Full document

RESTful link: http://localhost:5000/2dmaterials/doc/2dm-3542/json

Rendered JSON (click +/- to expand/collapse):