Li6FeO4F2 is an experimental lithium iron oxide fluoride ceramic compound being investigated for electrochemical and energy storage applications. This material belongs to the family of mixed-anion ceramics (oxyfluorides) where fluorine substitution modifies the crystal structure and ionic transport properties compared to conventional oxide counterparts. Research interest centers on its potential as a solid-state electrolyte or cathode material in next-generation lithium-ion batteries, where the fluoride component can enhance ionic conductivity and electrochemical stability.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 2.678 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 1.130 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 49.45 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 4.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000483 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000721 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -371.6 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 357.4 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.1494 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.217 | 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