• Formula : NaSbF4
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.068
    b = 5.53
    c = 8.57
    α = 90.0
    β = 94.15
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 168
  • Band gap = 4.4558 eV
    Direct Gap = 4.560 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Redetermination de la structure cristalline du tetrafluoro- antimonate III de sodium Na Sb F4 - interaction liaison fluor-paire electronique libre,
    Journal of Fluorine Chemistry 12, 237 (1978)

Band structure with spin-orbit coupling