• Formula : CuH2SeO5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.1253
    b = 5.521
    c = 7.4638
    α = 104.027
    β = 106.52
    γ = 97.175
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 98
  • Band gap = 0.0 eV
    Direct Gap = 0.008 eV
    Metallicity = 0.094
    Topological Z2 indices ν = (1;100)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 39887

Band structure with spin-orbit coupling