• Formula : Sr4Zn3F14
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 6.743
    b = 11.683
    c = 7.191
    α = 90.0
    β = 90.02
    γ = 90.0
  • Number of atoms per primitive cell = 21
    Total number of electrons per primitive cell = 174
  • Band gap = 4.8861 eV
    Direct Gap = 4.909 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of Sr4Zn3F14 : a new stoichiometry in MF2-M'F2 systems,
    European Journal of Solid State and Inorganic Chemistry 30, 595 (1993)

Band structure with spin-orbit coupling