Br2Mo6S6

MatHub3d-17417-Br2Mo6S6

Basic properties

Property Value
Space group (148, "'R-3'")
Magnetic False
Band gap (PBE) (eV) 0
Total energy (eV) -86.531
Total energy / atom (eV) -6.181

Lattice Parameters(from the source)

a, b, c (Å): 9.550 9.550 10.360
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 6.590 6.590 6.590
α, β, γ(°): 94.0 94.0 94.0

Energy and volume

Br2Mo6S6
.
Property Value
Bulk-modulus 127.539 GPa

Density of States (DOS)







Electronic band structure (PBE)

Br2Mo6S6
  
Property Value
Band gap 0 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-100599-Br2Mo6S6