• Formula : BaCu(SeO3)2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 8.031
    b = 5.185
    c = 15.823
    α = 90.0
    β = 90.83
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 138
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.983
    Topological Z2 indices ν = (1;101)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 202388

Band structure with spin-orbit coupling