• Formula : BaC2(SN)2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 10.188
    b = 6.872
    c = 8.522
    α = 90.0
    β = 92.43
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 80
  • Band gap = 0.023 eV
    Direct Gap = 0.051 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 94428

Band structure with spin-orbit coupling