• Formula : Zr2ZnAg2F14
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.0206
    b = 6.637262
    c = 9.05627
    α = 90.0
    β = 90.44581
    γ = 90.0
  • Number of atoms per primitive cell = 19
    Total number of electrons per primitive cell = 140
  • Band gap = 0.2533 eV
    Direct Gap = 0.686 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 422839

Band structure with spin-orbit coupling