• Formula : FeBiO3
  • Space Group : P1 (1)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.6317
    b = 5.6384
    c = 5.637
    α = 59.33
    β = 59.35
    γ = 59.38
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 62
  • Band gap = 0.0 eV
    Direct Gap = 0.035 eV
    Metallicity = 0.569
    Topological Z2 indices ν = (0;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 237538

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes