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Formula : AlPt
Space Group :
P2_13 (198)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 4.866
b = 4.866
c = 4.866
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 8
Total number of electrons per primitive cell = 52
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.324
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 58129
Band structure with spin-orbit coupling
Wannier charge center (WCC) at six time-reversal invariant planes