Collection: 2dmaterials, Doc: 2dm-3803

Formula: BaThBr6

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-570615

Exfoliation energy: 133.4 meV/atom
Decomposition energy: 77.0 meV/atom

a: 4.31 Å
b: 9.58 Å

(c: 24.71 Å)

Spacegroup: Pmm2

Magnetic moment: -0.0 μB/unit cell

Bandgap: 1995.7 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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