Li3CuF6 is a lithium copper fluoride compound belonging to the family of mixed-metal fluorides, which are of significant interest in solid-state electrochemistry and energy storage research. This material is primarily investigated as a solid electrolyte or electrolyte additive for advanced lithium-ion and solid-state battery systems, where fluoride-based compounds offer potential advantages in ionic conductivity and electrochemical stability. Engineers consider lithium fluoride compounds when designing next-generation energy storage devices that require higher energy density, improved thermal stability, and extended cycle life compared to conventional liquid electrolytes.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.406 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.8340 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 17.40 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 4.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000226 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000270 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -385.8 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 378.7 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.03340 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.478 | 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