• Formula : AgBF4
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.089
    b = 5.312
    c = 6.752
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 168
  • Band gap = 3.0125 eV
    Direct Gap = 3.013 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    X-ray single crystal structure and vibrational spectra of Ag B F4,
    Solid State Sciences 7, 1225 (2005)

Band structure with spin-orbit coupling