Ag1Fe2Ga1Te4

MatHub3d-264-Ag1Fe2Ga1Te4

Basic properties

Property Value
Space group (121, "'I-42m'")
Magnetic True
Magnetic moment (μB) 8.00
Band gap (PBE) (eV) 0.67
Total energy (eV) -28.923
Total energy / atom (eV) -3.615

Lattice Parameters(conventional cell, from the source)

a, b, c (Å): 6.340 6.340 12.020
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(conventional cell, relaxed)

a, b, c (Å): 6.380 6.380 12.430
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): -4.725
p_type (eV): -1.748

Energy and volume

Ag1Fe2Ga1Te4
.
Property Value
Bulk-modulus 37.351 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ag1Fe2Ga1Te4
  
Property Value
Band gap 0.67 eV
Band degeneracy(CBM) 1.00
Band degeneracy(VBM) 1.50

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)

Data source

Property Value
Source icsd-192470-Ag1Fe2Ga1Te4