• Formula : CoCu2O3
  • Space Group : Pmmn (59)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.4085
    b = 3.9801
    c = 3.198
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 114
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.977
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Das erste Uebergangsmetall-Oxocuprat(II) mit Ca Cu2 O3-Struktur. Zur Kenntnis von Co Cu2 O3 und Ca(1-x) Co(x) Cu2 O3 (x = 0,55),
    Zeitschrift fuer Kristallographie (149,1979-) 196, 121 (1991)

Band structure with spin-orbit coupling