• Formula : TiBrO
  • Space Group : Pmmn (59)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 3.787
    b = 3.487
    c = 8.529
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 50
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.900
    Topological Z2 indices ν = (0;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ti O Br: Darstellung, Eigenschaften und Struktur,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 387, 137 (1972)

Band structure with spin-orbit coupling