Cu1H12N2O6Sn1

MatHub3d-37736-Cu1H12N2O6Sn1

Property Value
Space group (2, "'P-1'")
Magnetic True
Magnetic moment (μB) 1.01
Band gap (PBE) (eV) 1.78
Total energy (eV) -112.493
Total energy / atom (eV) -5.113

Lattice Parameters(from the source)

a, b, c (Å): 4.880 5.640 6.620
α, β, γ(°): 108.0 92.0 94.0

Lattice Parameters(computed)

a, b, c (Å): 4.910 5.560 6.790
α, β, γ(°): 107.0 94.0 93.0

Deformation Potential

n_type (eV): -7.053
p_type (eV): -3.406
Cu1H12N2O6Sn1
.
Property Value
Bulk-modulus 119.977 GPa






Cu1H12N2O6Sn1
  
Property Value
Band gap 1.78 eV
Band degeneracy(CBM) 0.00
Band degeneracy(VBM) 0.00
Property Value
Source icsd-103-Cu1H12N2O6Sn1