• Formula : RbMnBr3
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.462
    b = 7.462
    c = 6.543
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 90
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.748
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ueber die Systeme Alkalimetallbromid/Mangan(II)-bromid,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 391, 302 (1972)

Band structure with spin-orbit coupling