Li2FeO2F is an experimental lithium iron oxide fluoride ceramic compound, part of the fluoride-oxide hybrid ceramic family attracting research interest for high-energy-density applications. This material is primarily investigated in electrochemical energy storage contexts, particularly as a cathode material candidate for advanced lithium-ion and solid-state battery systems, where the combination of lithium, iron, and fluorine offers potential for improved ionic conductivity, structural stability, and energy density compared to conventional oxide cathodes. Engineers evaluating this compound should note it remains in the research phase rather than established production, making it relevant for development programs targeting next-generation battery chemistries and solid electrolyte interfaces.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 124.4 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3000 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 58.10 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.128 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.00400 | eV | DFT · OptB88vdW | ||
| ↳ | 0.000 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 417.4 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 25.62 | - | DFT · OptB88vdW | ||
Electron Effective Mass(m*e) | 0.00333 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.00333 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 2.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 3.469 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.6973 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.00000820 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.0000128 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | 35.42 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 37.24 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.02470 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.231 | 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