Ac1In1Te2

MatHub3d-41-Ac1In1Te2

Basic properties

Property Value
Space group (225, "'Fm-3m'")
Magnetic False
Band gap (PBE) (eV) 0.38
Total energy (eV) -16.747
Total energy / atom (eV) -4.187

Lattice Parameters(conventional cell, from the source)

a, b, c (Å): 8.100 8.100 8.100
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(conventional cell, relaxed)

a, b, c (Å): 8.100 8.100 8.100
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): 3.116
p_type (eV): 1.550

Energy and volume

Ac1In1Te2
.
Property Value
Bulk-modulus 42.115 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ac1In1Te2
  
Property Value
Band gap 0.38 eV
Band degeneracy(CBM) 6.00
Band degeneracy(VBM) 4.00

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 -3.77797
Eband_CBM -1.55379

Data source

Property Value
Source mp-867112-Ac1In1Te2