• Formula : KGaCl4
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.223
    b = 10.4377
    c = 9.3194
    α = 90.0
    β = 93.29
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 200
  • Band gap = 4.597 eV
    Direct Gap = 4.597 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Potassium tetrachlorogallate,
    Acta Crystallographica Section E 59, i70 (2003)

Band structure with spin-orbit coupling