Cd1Cr1F6

MatHub3d-26556-Cd1Cr1F6

Property Value
Space group (148, "'R-3'")
Magnetic True
Magnetic moment (μB) 2.01
Band gap (PBE) (eV) 1.59
Total energy (eV) -37.134
Total energy / atom (eV) -4.642

Lattice Parameters(from the source)

a, b, c (Å): 5.140 5.140 14.080
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 5.660 5.660 5.660
α, β, γ(°): 56.0 56.0 56.0

Deformation Potential

n_type (eV): -1.564
p_type (eV): -1.720
Cd1Cr1F6
.
Property Value
Bulk-modulus 99.051 GPa






Cd1Cr1F6
  
Property Value
Band gap 1.59 eV
Band degeneracy(CBM) 0.00
Band degeneracy(VBM) 1.00
Property Value
Source icsd-10346-Cd1Cr1F6