• Formula : CuH2SO5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.037
    b = 5.17
    c = 7.578
    α = 108.62
    β = 108.39
    γ = 90.93
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 98
  • Band gap = 0.0 eV
    Direct Gap = 0.020 eV
    Metallicity = 0.095
    Topological Z2 indices ν = (0;011)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 68184

Band structure with spin-orbit coupling