• Formula : CaGaH4
  • Space Group : P2_1 (4)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 8.34796
    b = 4.35765
    c = 6.63347
    α = 90.0
    β = 127.843
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 54
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.416
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 240695

Band structure with spin-orbit coupling