• Formula : AgClO4
  • Space Group : F-43m (216)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 6.92
    b = 6.92
    c = 6.92
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 42
  • Band gap = 2.4263 eV
    Direct Gap = 2.431 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Roentgenographische Strukturerforschung der kubischen Modifikation der Perchlorate.,
    Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 75, 41 (1930)

Band structure with spin-orbit coupling