Ag4Se4Tl4

MatHub3d-1461-Ag4Se4Tl4

Basic properties

Property Value
Space group (62, "'Pnma'")
Magnetic False
Band gap (PBE) (eV) 0.77
Total energy (eV) -30.222
Total energy / atom (eV) -2.518

Lattice Parameters(from the source)

a, b, c (Å): 7.480 4.640 8.690
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 8.430 4.700 7.730
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): -4.068
p_type (eV): -5.564

Energy and volume

Ag4Se4Tl4
.
Property Value
Bulk-modulus 39.614 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ag4Se4Tl4
  
Property Value
Band gap 0.77 eV
Band degeneracy(CBM) 2.00
Band degeneracy(VBM) 2.00

Data source

Property Value
Source icsd-100710-Ag4Se4Tl4