LiCrPO4F is a lithium chromium phosphofluoride ceramic compound that belongs to the class of mixed-metal phosphates with fluorine substitution. This material is primarily of research and development interest, investigated for energy storage applications—particularly as a potential cathode or electrolyte component in advanced lithium-ion and solid-state battery systems. Its notable characteristics include a dense crystal structure and moderate mechanical stiffness, making it relevant for next-generation battery chemistries where conventional oxide cathodes face limitations in energy density or thermal stability; the fluorine doping strategy is designed to enhance ionic conductivity and electrochemical performance compared to unfluorinated analogues.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 13,896.1 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2600 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 8,341.1 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1219 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 1.050 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 41.59 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 6.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00105 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000875 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -314.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 342 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.455 | 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