Na6O8Sb2

MatHub3d-66220-Na6O8Sb2

Basic properties

Property Value
Space group (13, "'P2/c'")
Magnetic False
Band gap (PBE) (eV) 2.11
Total energy (eV) -82.330
Total energy / atom (eV) -5.146

Lattice Parameters(from the source)

a, b, c (Å): 5.790 6.590 5.420
α, β, γ(°): 90.0 109.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 5.880 6.670 5.510
α, β, γ(°): 90.0 110.0 90.0

Deformation Potential

n_type (eV): -4.160
p_type (eV): 2.716

Energy and volume

Na6O8Sb2
.
Property Value
Bulk-modulus 105.108 GPa

Density of States (DOS)







Electronic band structure (PBE)

Na6O8Sb2
  
Property Value
Band gap 2.11 eV
Band degeneracy(CBM) 1.00
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 -17.71486
Eband_CBM -0.68144

Data source

Property Value
Source icsd-10320-Na6O8Sb2