No file uploaded yet.
Check | Abbreviation | Description | Mechanism/Theory | Values |
---|---|---|---|---|
blm | Average bond length | P-V-L Theory | ||
blsd | Standard deviation of bond length | Local Symmetry | ||
sm | Average bond strength | P-V-L Theory | ||
ssd | Standard deviation of bond strength | Local Symmetry | ||
com | Average covalency | Chemical Bond Characteristics | ||
cosd | Standard deviation of covalency | Chemical Bond Characteristics | ||
Em | Average bond energy | P-V-L Theory | ||
Ev | Average bond energy per unit volume | P-V-L Theory | ||
Esd | Standard deviation of bond energy | P-V-L Theory | ||
bvsdm | Average of standard deviations of bond valence | Rattling Effect | ||
devvm | Average of BVS deviations from nominal valence | Rattling Effect | ||
vi | Total ionic volume | Local Structure | ||
pd | Packing fraction | Local Structure | ||
via | Ionic volume per unit atom | Local Structure | ||
pm | Molecular dielectric polarizability | Clausius-Mossotti Equation | ||
pa | Molecular dielectric polarizability per unit atom | Clausius-Mossotti Equation | ||
pv | Molecular dielectric polarizability per unit volume | Clausius-Mossotti Equation | ||
lsd | Lattice constant-edge length standard deviation | Lattice Symmetry | ||
asd | Lattice constant-angle standard deviation | Lattice Symmetry | ||
vm | Unit cell volume | Clausius-Mossotti Equation | ||
m | Relative molecular mass | Elemental Feature | ||
d | Theoretical density | Dilution Effect | ||
va | Unit cell volume per unit atom | Clausius-Mossotti Equation | ||
Gll | Unit cell volume per unit molecule | Local Structure |