Collection: 2dmaterials, Doc: 2dm-3533

Formula: CaThBr6

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-29015

Exfoliation energy: 101.8 meV/atom
Decomposition energy: 62.2 meV/atom

a: 4.15 Å
b: 9.16 Å

(c: 24.35 Å)

Spacegroup: Pmm2

Magnetic moment: 0.0 μB/unit cell

Bandgap: 1982.1 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

Full document

RESTful link: http://localhost:5000/2dmaterials/doc/2dm-3533/json

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