• Formula : AgI
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.0339
    b = 6.0339
    c = 6.0339
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 18
  • Band gap = 0.287 eV
    Direct Gap = 2.140 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 1.5 GPa, Phase III,
    Physical Review B 59, 750 (1999)

Band structure with spin-orbit coupling