• Formula : Sr3Ru2O7
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 3.8903
    b = 3.8903
    c = 20.55199
    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 = 0.001 eV
    Metallicity = 0.964
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ein Beitrag ueber Sr2 Ru O4 und Sr3 Ru2 O7. Zur Oktaederstreckung von M4+ in K2 Ni F4- und Sr3 Ti O7-Typ-Verbindungen,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 591, 161 (1990)

Band structure with spin-orbit coupling