• Formula : Sr3Cr2O8
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.562
    b = 5.562
    c = 20.22099
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 106
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.246
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ein Beitrag zur Kristallchemie der Erdalkalimetall-Oxochromate(V) : Sr3 (Cr O4)2 und Sr18 Ca3 Cr14 O56,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 572, 95 (1989)

Band structure with spin-orbit coupling