• Formula : LiInF4
  • Space Group : Pbcn (60)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.752
    b = 11.721
    c = 4.971
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 176
  • Band gap = 4.4823 eV
    Direct Gap = 4.482 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure of lithium tetrafluoroindate,
    Acta Crystallographica Section C 48, 769 (1992)

Band structure with spin-orbit coupling