• Formula : NaCo2Mo2H3O10
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.392
    b = 6.3436
    c = 7.6473
    α = 90.0
    β = 115.83
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 134
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.622
    Topological Z2 indices ν = (0;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 422475

Band structure with spin-orbit coupling