Collection: 2dmaterials, Doc: 2dm-3226

Formula: Tl2SiSe3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-14241

Exfoliation energy: 127.9 meV/atom
Decomposition energy: 5.0 meV/atom

a: 6.84 Å
b: 8.73 Å

(c: 24.36 Å)

Spacegroup: P-1

Magnetic moment: 0.0 μB/unit cell

Bandgap: 2198.3 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

Full document

RESTful link: http://localhost:5000/2dmaterials/doc/2dm-3226/json

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