Li5FeOF5 is an experimental lithium iron oxyfluoride ceramic compound belonging to the family of mixed-anion materials that combine both oxide and fluoride ligands. This is a research-stage material being investigated for solid-state battery applications, particularly as a potential solid electrolyte or cathode material where its ionic conductivity and electrochemical stability are of primary interest. The material represents the broader push in battery chemistry to move beyond traditional liquid electrolytes toward dense ceramic phases that offer improved safety, energy density, and cycle life in advanced lithium-ion systems.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1130 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.5760 | eV | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 8.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.0000493 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.0000368 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -390 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 341.8 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.1994 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.661 | 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