LiFe3O2F6 is an inorganic ceramic compound combining lithium, iron, oxygen, and fluorine—a composition typical of advanced battery and electrochemical materials research. This material belongs to the family of fluoride-based ceramics and iron-containing oxides, which are actively investigated for high-energy-density electrochemical applications where thermal and chemical stability are critical. While primarily in the research phase, materials in this compositional space are pursued for next-generation lithium-ion battery cathodes and solid electrolyte components, offering potential advantages in energy density and thermal tolerance compared to conventional layered oxide cathodes.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 74.39 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3000 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 32.87 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.307 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.000 | eV | DFT · OptB88vdW | ||
Dielectric Constant (Relative Permittivity)(εr) | 202.2 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 3.001 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.2094 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.998 | eV/atom | DFT · OptB88vdW |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data