• Formula : Ca(GaS2)2
  • Space Group : Cccm (66)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.066
    b = 10.021
    c = 10.06
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 120
  • Band gap = 2.6848 eV
    Direct Gap = 2.831 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 619292

Band structure with spin-orbit coupling