Ac2Ir1Li1

MatHub3d-99-Ac2Ir1Li1

Basic properties

Property Value
Space group (225, "'Fm-3m'")
Magnetic False
Band gap (PBE) (eV) 0
Total energy (eV) -17.234
Total energy / atom (eV) -4.308

Lattice Parameters(conventional cell, from the source)

a, b, c (Å): 7.590 7.590 7.590
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(conventional cell, relaxed)

a, b, c (Å): 7.560 7.560 7.560
α, β, γ(°): 90.0 90.0 90.0

Energy and volume

Ac2Ir1Li1
.
Property Value
Bulk-modulus 55.413 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ac2Ir1Li1
  
Property Value
Band gap 0 eV

Data source

Property Value
Source mp-862685-Ac2Ir1Li1