• Formula : CaAg
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.058
    b = 11.457
    c = 4.654
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 42
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.626
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structures of Ca Ag, Ca Au und Sr Zn,
    Journal of the Less-Common Metals 86, 241 (1982)

Band structure with spin-orbit coupling