Li1Pd1

MatHub3d-58935-Li1Pd1

Basic properties

Property Value
Space group (187, "'P-6m2'")
Magnetic False
Band gap (PBE) (eV) 0.03
Total energy (eV) -6.096
Total energy / atom (eV) -3.048

Lattice Parameters(from the source)

a, b, c (Å): 2.750 2.750 4.230
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 2.810 2.810 3.990
α, β, γ(°): 90.0 90.0 120.0

Energy and volume

Li1Pd1
.
Property Value
Bulk-modulus 75.188 GPa

Density of States (DOS)







Electronic band structure (PBE)

Li1Pd1
  
Property Value
Band gap 0.03 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-104771-Li1Pd1