• Formula : Li2Cu2TeO6
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.6435
    b = 8.607
    c = 5.3515
    α = 90.0
    β = 115.222
    γ = 90.0
  • Number of atoms per primitive cell = 11
    Total number of electrons per primitive cell = 70
  • Band gap = 0.0428 eV
    Direct Gap = 0.107 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 189655

Band structure with spin-orbit coupling