• Formula : NaZr2TiF11
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.18
    b = 6.826
    c = 7.808
    α = 90.0
    β = 116.19
    γ = 90.0
  • Number of atoms per primitive cell = 15
    Total number of electrons per primitive cell = 106
  • Band gap = 0.0 eV
    Direct Gap = 0.015 eV
    Metallicity = 0.782
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 78867

Band structure with spin-orbit coupling