• Formula : Y(CuO2)2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.6867
    b = 9.5723
    c = 5.6062
    α = 90.0
    β = 92.46
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 114
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.368
    Topological Z2 indices ν = (1;101)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 83493

Band structure with spin-orbit coupling