• Formula : K3Sb2N2O6F7
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 15.02
    b = 7.17
    c = 5.69
    α = 90.0
    β = 90.0
    γ = 92.3
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 132
  • Band gap = 2.8769 eV
    Direct Gap = 2.886 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 200740

Band structure with spin-orbit coupling