Bi2Na2O4

MatHub3d-15976-Bi2Na2O4

Property Value
Space group (15, "'C2/c'")
Magnetic False
Band gap (PBE) (eV) 1.30
Total energy (eV) -41.221
Total energy / atom (eV) -5.153

Lattice Parameters(from the source)

a, b, c (Å): 7.390 7.260 5.880
α, β, γ(°): 90.0 128.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 5.190 5.190 5.980
α, β, γ(°): 115.0 115.0 90.0

Deformation Potential

n_type (eV): -1.701
p_type (eV): -2.000
Bi2Na2O4
.
Property Value
Bulk-modulus 89.030 GPa






Bi2Na2O4
  
Property Value
Band gap 1.30 eV
Band degeneracy(CBM) 2.00
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 -2.55938
Eband_CBM -0.70336
Property Value
Source icsd-10317-Bi2Na2O4