Bi4Cl4S4

MatHub3d-16198-Bi4Cl4S4

Basic properties

Property Value
Space group (62, "'Pnma'")
Magnetic False
Band gap (PBE) (eV) 1.92
Total energy (eV) -47.231
Total energy / atom (eV) -3.936

Lattice Parameters(from the source)

a, b, c (Å): 7.750 4.000 9.990
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 7.720 3.990 11.410
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): -0.668
p_type (eV): -0.005

Energy and volume

Bi4Cl4S4
.
Property Value
Bulk-modulus 49.533 GPa

Density of States (DOS)







Electronic band structure (PBE)

Bi4Cl4S4
  
Property Value
Band gap 1.92 eV
Band degeneracy(CBM) 1.00
Band degeneracy(VBM) 1.00

Data source

Property Value
Source icsd-100173-Bi4Cl4S4