• Formula : CuO
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.6832
    b = 3.4288
    c = 5.1297
    α = 90.0
    β = 99.3086
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 34
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.506
    Topological Z2 indices ν = (1;100)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 0 min,
    Journal of Solid State Chemistry 122, 273 (1996)

Band structure with spin-orbit coupling