Collection: 2dmaterials, Doc: 2dm-3418

Formula: CrSBr

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-22998

Exfoliation energy: 51.4 meV/atom
Decomposition energy: 0.0 meV/atom

a: 3.54 Å
b: 4.73 Å

(c: 25.65 Å)

Spacegroup: Pmmn

Magnetic moment: 6.0020836 μB/unit cell

Bandgap: 292.8 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

Full document

RESTful link: http://localhost:5000/2dmaterials/doc/2dm-3418/json

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