I4In4Te4

MatHub3d-54944-I4In4Te4

Basic properties

Property Value
Space group (14, "'P2_1/c'")
Magnetic False
Band gap (PBE) (eV) 1.78
Total energy (eV) -33.839
Total energy / atom (eV) -2.820

Lattice Parameters(from the source)

a, b, c (Å): 8.080 7.730 8.410
α, β, γ(°): 90.0 117.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 8.930 7.830 8.550
α, β, γ(°): 90.0 117.0 90.0

Deformation Potential

n_type (eV): -4.444
p_type (eV): -1.349

Energy and volume

I4In4Te4
.
Property Value
Bulk-modulus 26.472 GPa

Density of States (DOS)







Electronic band structure (PBE)

I4In4Te4
  
Property Value
Band gap 1.78 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 -11.29215
Eband_CBM -15.03886

Data source

Property Value
Source icsd-100703-I4In4Te4