Bi2O8V2

MatHub3d-16026-Bi2O8V2

Basic properties

Property Value
Space group (141, "'I4_1/amd'")
Magnetic False
Band gap (PBE) (eV) 2.83
Total energy (eV) -83.495
Total energy / atom (eV) -6.958

Lattice Parameters(from the source)

a, b, c (Å): 7.300 7.300 6.580
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 6.160 6.160 6.160
α, β, γ(°): 106.0 106.0 116.0

Deformation Potential

n_type (eV): -0.295
p_type (eV): -1.071

Energy and volume

Bi2O8V2
.
Property Value
Bulk-modulus 145.815 GPa

Density of States (DOS)







Electronic band structure (PBE)

Bi2O8V2
  
Property Value
Band gap 2.83 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 -14.05428
Eband_CBM -30.80502

Data source

Property Value
Source icsd-100733-Bi2O8V2