• Formula : K2ZnF4
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.058
    b = 4.058
    c = 13.109
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 58
  • Band gap = 4.3258 eV
    Direct Gap = 5.758 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Verfeinerung der Kristallstrukturen von K2 Zn F4 und K3 Zn2 F7,
    Zeitschrift fuer Kristallographie (149,1979-) 153, 189 (1980)

Band structure with spin-orbit coupling