• Formula : CaAg2
  • Space Group : Imma (74)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.26
    b = 4.68
    c = 8.14
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 64
  • Band gap = 0.0 eV
    Direct Gap = 0.035 eV
    Metallicity = 0.506
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Ag Ca and Ag2 Ca,
    Acta Crystallographica (1,1948-23,1967) 10, 775 (1957)

Band structure with spin-orbit coupling