• Formula : CaC2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.1712
    b = 3.8463
    c = 8.7162
    α = 90.0
    β = 124.99
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 36
  • Band gap = 2.378 eV
    Direct Gap = 2.794 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 290833

Band structure with spin-orbit coupling