• Formula : NaSbF6
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.198
    b = 8.198
    c = 8.198
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 56
  • Band gap = 5.8791 eV
    Direct Gap = 5.879 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Pressure-Induced <i>Fm</i>-3<i>m</i> <i>R</i>-3 Phase Transition in NaSbF~6~,
    Acta Crystallographica Section B 53, 25 (1997)

Band structure with spin-orbit coupling