Li3FeO2F2 is a lithium iron oxide fluoride ceramic compound that belongs to the family of mixed-anion materials combining oxide and fluoride ligands. This is a research-stage material being investigated for energy storage applications, particularly as a cathode or electrolyte component in next-generation lithium-ion and solid-state battery systems, where the fluoride coordination offers potential advantages in ionic conductivity and electrochemical stability compared to conventional oxide ceramics.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.428 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.08200 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 19.12 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 9.685 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000598 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000553 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | 60.58 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 64.92 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.1357 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.354 | 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