• Formula : SrC2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.0455
    b = 4.4681
    c = 7.6836
    α = 90.0
    β = 107.22
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 36
  • Band gap = 2.457 eV
    Direct Gap = 2.716 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthesis and crystal structure of Sr C2,
    Journal of Solid State Chemistry 151, 111 (2000)

Band structure with spin-orbit coupling