• Formula : K2Ti2O5
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 11.37
    b = 3.8
    c = 6.62
    α = 90.0
    β = 100.1
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 72
  • Band gap = 3.3234 eV
    Direct Gap = 3.597 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 36097

Band structure with spin-orbit coupling