Ag1F6Sn1

MatHub3d-252-Ag1F6Sn1

Basic properties

Property Value
Space group (2, "'P-1'")
Magnetic True
Magnetic moment (μB) 0.99
Band gap (PBE) (eV) 2.12
Total energy (eV) -32.481
Total energy / atom (eV) -4.060

Lattice Parameters(conventional cell, from the source)

a, b, c (Å): 5.200 5.250 5.630
α, β, γ(°): 64.0 89.0 61.0

Lattice Parameters(conventional cell, relaxed)

a, b, c (Å): 5.310 5.440 5.650
α, β, γ(°): 63.3 89.7 61.5

Deformation Potential

n_type (eV): -10.367
p_type (eV): -4.161

Energy and volume

Ag1F6Sn1
.
Property Value
Bulk-modulus 89.816 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ag1F6Sn1
  
Property Value
Band gap 2.12 eV
Band degeneracy(CBM) 0.50
Band degeneracy(VBM) 0.50

Data source

Property Value
Source icsd-51505-Ag1F6Sn1