Li16O32W8

MatHub3d-61994-Li16O32W8

Basic properties

Property Value
Space group (141, "'I4_1/amd'")
Magnetic False
Band gap (PBE) (eV) 4.07
Total energy (eV) -398.112
Total energy / atom (eV) -7.109

Lattice Parameters(from the source)

a, b, c (Å): 11.950 11.950 8.410
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 9.540 9.540 9.540
α, β, γ(°): 101.0 101.0 127.0

Deformation Potential

n_type (eV): -2.640
p_type (eV): 2.813

Energy and volume

Li16O32W8
.
Property Value
Bulk-modulus 171.409 GPa

Density of States (DOS)







Electronic band structure (PBE)

Li16O32W8
  
Property Value
Band gap 4.07 eV
Band degeneracy(CBM) 4.00
Band degeneracy(VBM) 8.00

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 -16.33035
Eband_CBM -188.19153

Data source

Property Value
Source icsd-10479-Li16O32W8