Ir1Li1

MatHub3d-56289-Ir1Li1

Basic properties

Property Value
Space group (187, "'P-6m2'")
Magnetic True
Magnetic moment (μB) 0.48
Band gap (PBE) (eV) 0
Total energy (eV) -8.461
Total energy / atom (eV) -4.231

Lattice Parameters(from the source)

a, b, c (Å): 2.650 2.650 4.400
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 2.650 2.650 4.330
α, β, γ(°): 90.0 90.0 120.0

Density of States (DOS)







Electronic band structure (PBE)

Ir1Li1
  
Property Value
Band gap 0 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-104487-Ir1Li1