Ba8Sb8Te24

MatHub3d-14488-Ba8Sb8Te24

Basic properties

Property Value
Space group (19, "'P2_12_12_1'")
Magnetic False
Band gap (PBE) (eV) 0.39
Total energy (eV) -155.179
Total energy / atom (eV) -3.879

Lattice Parameters(from the source)

a, b, c (Å): 4.630 16.940 18.090
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 4.630 17.330 18.350
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): 1.923
p_type (eV): 1.154

Energy and volume

Ba8Sb8Te24
.
Property Value
Bulk-modulus 37.817 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ba8Sb8Te24
  
Property Value
Band gap 0.39 eV
Band degeneracy(CBM) 2.00
Band degeneracy(VBM) 2.00

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 -41.81598
Eband_CBM -20.05875

Data source

Property Value
Source icsd-10506-Ba8Sb8Te24