• Formula : Cu(HO)2
  • Space Group : Cmc2_1 (36)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 2.9471
    b = 10.593
    c = 5.2564
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 50
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.982
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure of copper(II) hydroxide, Cu(OH)2,
    Acta Crystallographica, Section C 46, 2279 (1990)

Band structure with spin-orbit coupling