• Formula : KNaMg2Si4(O5F)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.269
    b = 9.092
    c = 10.197
    α = 90.0
    β = 100.12
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 128
  • Band gap = 5.3922 eV
    Direct Gap = 5.392 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 98196

Band structure with spin-orbit coupling