Ag1Gd5Se8

MatHub3d-271-Ag1Gd5Se8

Basic properties

Property Value
Space group (82, "'I-4'")
Magnetic True
Magnetic moment (μB) 0.04
Band gap (PBE) (eV) 1.67
Total energy (eV) -75.509
Total energy / atom (eV) -5.393

Lattice Parameters(conventional cell, from the source)

a, b, c (Å): 8.760 8.760 8.860
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(conventional cell, relaxed)

a, b, c (Å): 8.740 8.740 8.820
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): 3.093
p_type (eV): 1.928

Energy and volume

Ag1Gd5Se8
.
Property Value
Bulk-modulus 72.083 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ag1Gd5Se8
  
Property Value
Band gap 1.67 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)

Data source

Property Value
Source mp-685977-Ag1Gd5Se8