• Formula : Sr7Au3
  • Space Group : P6_3mc (186)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 11.07
    b = 11.07
    c = 7.161
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 206
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.862
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structures of the phases Sr3 Ag2, Ca5 Au3, Sr7 Au3 and Sr7 Ag3,
    Revue de Chimie Minerale 21, 273 (1984)

Band structure with spin-orbit coupling