• Formula : Na4TiO4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.783
    b = 5.785
    c = 6.476
    α = 124.24
    β = 102.31
    γ = 95.87
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 144
  • Band gap = 3.3873 eV
    Direct Gap = 3.439 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 69621

Band structure with spin-orbit coupling