• Formula : MnBiO3
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.2708
    b = 7.4467
    c = 5.2725
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 192
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.512
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structural Evolution under Pressure of BiMnO3.,
    Inorganic chemistry 53, 8749 (2014)

Band structure with spin-orbit coupling