• Formula : BaAg2
  • Space Group : Imma (74)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.958
    b = 8.063
    c = 8.453
    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 = 0.021 eV
    Metallicity = 0.390
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Der Aufbau der Systeme des Europiums mit Silber, Kadmium und Indium sowie das System Kadmium-Strontium,
    Zeitschrift fuer Metallkunde 45, 695 (1965)

Band structure with spin-orbit coupling