• Formula : CaAgSb
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.708
    b = 4.59
    c = 8.393
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 104
  • Band gap = 0.0 eV
    Direct Gap = 0.155 eV
    Metallicity = 0.115
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    RMX compounds formed ba alkaline earths, europium and ytterbium. I. Ternary phases with M= Cu, Ag, Au; X= Sb, Bi,
    Journal of the Less-Common Metals 166, 319 (1990)

Band structure with spin-orbit coupling