• Formula : BaCo2P2H2O9
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 9.2494
    b = 4.914
    c = 8.265
    α = 90.0
    β = 91.744
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 110
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 0.518
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 84830

Band structure with spin-orbit coupling