B4F28S4

MatHub3d-9478-B4F28S4

Basic properties

Property Value
Space group (62, "'Pnma'")
Magnetic False
Band gap (PBE) (eV) 5.02
Total energy (eV) -172.454
Total energy / atom (eV) -4.790

Lattice Parameters(from the source)

a, b, c (Å): 9.600 5.750 8.970
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 9.820 5.850 9.170
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): -15.677
p_type (eV): -8.264

Energy and volume

B4F28S4
.
Property Value
Bulk-modulus 85.349 GPa

Density of States (DOS)







Electronic band structure (PBE)

B4F28S4
  
Property Value
Band gap 5.02 eV
Band degeneracy(CBM) 2.00
Band degeneracy(VBM) 4.00

Electric transport properties

n-type Seebeck coefficient (700K)



p-type Seebeck coefficient (700K)
n-type conductivity (700K)



p-type conductivity (700K)
n-type power factor (700K)



p-type power factor (700K)

Bonding information







Eband_VBM 76.62664
Eband_CBM -32.52432

Data source

Property Value
Source icsd-10337-B4F28S4