• Formula : SrCu2O3
  • Space Group : Pmmn (59)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.6214
    b = 3.8831
    c = 3.279
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 100
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.729
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Prssure induced structural transitions of spin ladder compounds Sr Cu2 O3 and Sr2 Cu3 O5,
    Funtai Oyobi Funmatsu Yakin (= Journal of the Japan Society of Powder Metallurgy) 49, 377 (2002)

Band structure with spin-orbit coupling