Collection: 2dmaterials, Doc: 2dm-3116

Formula: ThSe3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1079673

Exfoliation energy: 59.3 meV/atom
Decomposition energy: 0.0 meV/atom

a: 4.24 Å
b: 5.80 Å

(c: 26.58 Å)

Spacegroup: P2_1/m

Magnetic moment: -0.0 μB/unit cell

Bandgap: 1291.0 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

Full document

RESTful link: http://localhost:5000/2dmaterials/doc/2dm-3116/json

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