• Formula : Sr(AlCl4)2
  • Space Group : P2/c (13)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 12.662
    b = 7.003
    c = 7.067
    α = 90.0
    β = 94.27
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 144
  • Band gap = 5.4591 eV
    Direct Gap = 5.459 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 56732

Band structure with spin-orbit coupling