• Formula : LiTi2O4
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 12.451
    b = 3.8168
    c = 6.456
    α = 90.0
    β = 107.78
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 102
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.478
    Topological Z2 indices ν = (1;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 180011

Band structure with spin-orbit coupling