Cu6K2Te4

MatHub3d-39789-Cu6K2Te4

Basic properties

Property Value
Space group (12, "'C2/m'")
Magnetic False
Band gap (PBE) (eV) 0.71
Total energy (eV) -33.648
Total energy / atom (eV) -2.804

Lattice Parameters(from the source)

a, b, c (Å): 16.450 4.290 8.660
α, β, γ(°): 90.0 112.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 8.570 8.570 8.720
α, β, γ(°): 111.0 111.0 29.0

Deformation Potential

n_type (eV): -2.011
p_type (eV): -0.199

Energy and volume

Cu6K2Te4
.
Property Value
Bulk-modulus 45.879 GPa

Density of States (DOS)







Electronic band structure (PBE)

Cu6K2Te4
  
Property Value
Band gap 0.71 eV
Band degeneracy(CBM) 1.00
Band degeneracy(VBM) 1.00

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 -12.26442
Eband_CBM -4.56434

Data source

Property Value
Source icsd-100830-Cu6K2Te4