• Formula : LiIn(IO3)4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.889
    b = 6.534
    c = 8.568
    α = 85.586
    β = 89.911
    γ = 88.827
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 116
  • Band gap = 3.3117 eV
    Direct Gap = 3.326 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 422056

Band structure with spin-orbit coupling