Collection: 2dmaterials, Doc: 2dm-3969
Formula: BaCaI4
Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-766348
Exfoliation energy: 164.2 meV/atom
Decomposition energy: 141.9 meV/atom
a: 7.02 Å
b: 8.05 Å
(c: 28.75 Å)
Spacegroup: P2_12_12
Magnetic moment: -0.0 μB/unit cell
Bandgap: 3969.9 meV (direct) (PBE)
Bandstructure and Density of States
Full document
RESTful link: http://localhost:5000/2dmaterials/doc/2dm-3969/json
Rendered JSON (click +/- to expand/collapse):