• Formula : Cs2Li2TiO4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 9.51
    b = 5.945
    c = 5.826
    α = 93.11
    β = 110.37
    γ = 95.04
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 120
  • Band gap = 4.2643 eV
    Direct Gap = 4.371 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 33810

Band structure with spin-orbit coupling