Ge6K2O18Ta2

MatHub3d-50747-Ge6K2O18Ta2

Basic properties

Property Value
Space group (188, "'P-6c2'")
Magnetic False
Band gap (PBE) (eV) 3.51
Total energy (eV) -195.848
Total energy / atom (eV) -6.995

Lattice Parameters(from the source)

a, b, c (Å): 6.970 6.970 10.140
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 7.100 7.100 10.310
α, β, γ(°): 90.0 90.0 120.0

Deformation Potential

n_type (eV): -2.637
p_type (eV): 5.270

Energy and volume

Ge6K2O18Ta2
.
Property Value
Bulk-modulus 133.393 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ge6K2O18Ta2
  
Property Value
Band gap 3.51 eV
Band degeneracy(CBM) 1.00
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 3.73495
Eband_CBM -10.01776

Data source

Property Value
Source icsd-10380-Ge6K2O18Ta2