• Formula : TiCdO3
  • Space Group : Pmc2_1 (26)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.41511
    b = 7.60293
    c = 5.29465
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 168
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.548
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 51698

Band structure with spin-orbit coupling