• Formula : Li2Ti3O7
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.31458
    b = 3.75215
    c = 7.54472
    α = 90.0
    β = 97.611
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 168
  • Band gap = 3.1549 eV
    Direct Gap = 3.155 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 426263

Band structure with spin-orbit coupling