Bi2Na6O8

MatHub3d-15984-Bi2Na6O8

Property Value
Space group (13, "'P2/c'")
Magnetic False
Band gap (PBE) (eV) 1.01
Total energy (eV) -77.430
Total energy / atom (eV) -4.839

Lattice Parameters(from the source)

a, b, c (Å): 5.870 6.700 5.660
α, β, γ(°): 90.0 110.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 5.950 6.790 5.760
α, β, γ(°): 90.0 110.0 90.0

Deformation Potential

n_type (eV): -5.204
p_type (eV): -0.509
Bi2Na6O8
.
Property Value
Bulk-modulus 86.478 GPa






Bi2Na6O8
  
Property Value
Band gap 1.01 eV
Band degeneracy(CBM) 1.00
Band degeneracy(VBM) 2.00
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)






Eband_VBM -19.16444
Eband_CBM -0.63979
Property Value
Source icsd-10319-Bi2Na6O8