• Formula : CsAgF3
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.489
    b = 6.489
    c = 8.52
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 82
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.262
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Fluorargentate(II) der Alkalimetalle,
    Monatshefte fuer Chemie (-108,1977) 102, 1340 (1971)

Band structure with spin-orbit coupling