• Formula : ReO3
  • Space Group : Im3 (204)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.4236
    b = 7.4236
    c = 7.4236
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 132
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.902
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Order parameter and critical exponent for the pressure- induced phase transitions in Re O3,
    Physical Review, Serie 3. B - Condensed Matter (18,1978-) 33, 4793 (1986)

Band structure with spin-orbit coupling