In2K2O16W4

MatHub3d-55620-In2K2O16W4

Basic properties

Property Value
Space group (165, "'P-3c1'")
Magnetic False
Band gap (PBE) (eV) 4.48
Total energy (eV) -177.370
Total energy / atom (eV) -7.390

Lattice Parameters(from the source)

a, b, c (Å): 5.790 5.790 14.520
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 5.920 5.920 14.910
α, β, γ(°): 90.0 90.0 120.0

Deformation Potential

n_type (eV): -6.149
p_type (eV): 2.084

Energy and volume

In2K2O16W4
.
Property Value
Bulk-modulus 122.620 GPa

Density of States (DOS)







Electronic band structure (PBE)

In2K2O16W4
  
Property Value
Band gap 4.48 eV
Band degeneracy(CBM) 6.00
Band degeneracy(VBM) 3.00

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 25.80632
Eband_CBM -33.99737

Data source

Property Value
Source icsd-10187-In2K2O16W4