• Formula : MnCo(BiO3)2
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 9.4886
    b = 5.4444
    c = 9.5678
    α = 90.0
    β = 107.603
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 196
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.519
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 153856

Band structure with spin-orbit coupling