• Formula : Sr3Au2
  • Space Group : R-3 (148)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.604
    b = 9.604
    c = 18.36
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 15
    Total number of electrons per primitive cell = 156
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.428
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structures of Ca3 Au, Ca5 Au2, Sr3 Au2, Ba3 Au2 and alloying behaviour of the alkaline earths with Cu, Ag, Au,
    Revue de Chimie Minerale 22, 791 (1985)

Band structure with spin-orbit coupling