• Formula : AgF2
  • Space Group : Pbca (61)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.568
    b = 5.831
    c = 5.101
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 100
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.375
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Einkristalluntersuchungen an Ag F2,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 588, 77 (1990)

Band structure with spin-orbit coupling