• Formula : Al(NF2)3
  • Space Group : F-43m (216)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 8.4
    b = 8.4
    c = 8.4
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 60
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.714
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate _cod_database_code 1010086,
    Journal of the American Chemical Society 46, 2738 (1924)

Band structure with spin-orbit coupling