Be18H20He2Li2

MatHub3d-15427-Be18H20He2Li2

Basic properties

Property Value
Space group (2, "'P-1'")
Magnetic False
Band gap (PBE) (eV) 0.31
Total energy (eV) -132.424
Total energy / atom (eV) -3.153

Lattice Parameters(from the source)

a, b, c (Å): 5.990 6.140 10.740
α, β, γ(°): 77.0 82.0 73.0

Lattice Parameters(computed)

a, b, c (Å): 6.010 6.770 9.880
α, β, γ(°): 74.0 83.0 102.0

Deformation Potential

n_type (eV): 1.925
p_type (eV): 1.424

Energy and volume

Be18H20He2Li2
.
Property Value
Bulk-modulus 57.893 GPa

Density of States (DOS)







Electronic band structure (PBE)

Be18H20He2Li2
  
Property Value
Band gap 0.31 eV
Band degeneracy(CBM) 1.00
Band degeneracy(VBM) 1.00

Data source

Property Value
Source icsd-10101-Be18H20He2Li2