Collection: 2dmaterials, Doc: 2dm-3738

Formula: ThI2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-27652

Exfoliation energy: 97.4 meV/atom
Decomposition energy: 21.6 meV/atom

a: 4.00 Å
b: 4.00 Å

(c: 24.53 Å)

Spacegroup: P-6m2

Magnetic moment: 0.0 μB/unit cell

Bandgap: 31.1 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

Full document

RESTful link: http://localhost:5000/2dmaterials/doc/2dm-3738/json

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