Cl1O3Rb1

MatHub3d-28692-Cl1O3Rb1

Basic properties

Property Value
Space group (160, "'R3m'")
Magnetic False
Band gap (PBE) (eV) 5.34
Total energy (eV) -21.280
Total energy / atom (eV) -4.256

Lattice Parameters(from the source)

a, b, c (Å): 6.090 6.090 8.170
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 4.660 4.660 4.660
α, β, γ(°): 81.0 81.0 81.0

Deformation Potential

n_type (eV): -4.719
p_type (eV): -1.412

Energy and volume

Cl1O3Rb1
.
Property Value
Bulk-modulus 55.511 GPa

Density of States (DOS)







Electronic band structure (PBE)

Cl1O3Rb1
  
Property Value
Band gap 5.34 eV
Band degeneracy(CBM) 2.00
Band degeneracy(VBM) 1.00

Data source

Property Value
Source icsd-10283-Cl1O3Rb1