• Formula : Na2RuO3
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.4141
    b = 9.3663
    c = 10.8481
    α = 90.0
    β = 99.636
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 208
  • Band gap = 0.0 eV
    Direct Gap = 0.023 eV
    Metallicity = 0.366
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Syntheses and crystal structures of two sodium ruthenates: Na2 Ru o4 and Na2 Ru O3,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 630, 547 (2004)

Band structure with spin-orbit coupling