• Formula : Ba2MnO3
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.846
    b = 11.579
    c = 12.707
    α = 90.0
    β = 93.74
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 212
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.113
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthese und Aufbau von Ba2 Mn O3,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 478, 52 (1981)

Band structure with spin-orbit coupling