• Formula : AlInCl4
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 10.937
    b = 7.0519
    c = 9.2671
    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 = 4.1454 eV
    Direct Gap = 4.271 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Indium(I) tetrachloroaluminate,
    Acta Crystallographica Section E 61, i199 (2005)

Band structure with spin-orbit coupling