Bi2Br6

MatHub3d-15727-Bi2Br6

Basic properties

Property Value
Space group (12, "'C2/m'")
Magnetic False
Band gap (PBE) (eV) 2.89
Total energy (eV) -23.800
Total energy / atom (eV) -2.975

Lattice Parameters(from the source)

a, b, c (Å): 7.250 12.530 6.850
α, β, γ(°): 90.0 111.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 7.390 7.390 7.720
α, β, γ(°): 100.0 100.0 120.0

Deformation Potential

n_type (eV): -1.092
p_type (eV): 0.219

Energy and volume

Bi2Br6
.
Property Value
Bulk-modulus 28.594 GPa

Density of States (DOS)







Electronic band structure (PBE)

Bi2Br6
  
Property Value
Band gap 2.89 eV
Band degeneracy(CBM) 1.00
Band degeneracy(VBM) 4.00

Data source

Property Value
Source icsd-100294-Bi2Br6