Li5NiO3F is an experimental lithium nickel oxide fluoride ceramic compound that belongs to the family of mixed-anion oxyfluorides, which are of significant interest in solid-state battery research. This material is primarily investigated as a potential solid electrolyte or cathode component for next-generation lithium-ion batteries, where the fluorine substitution can enhance ionic conductivity and electrochemical stability compared to conventional oxide ceramics. Engineers evaluating this compound should recognize it as a research-phase material rather than a production ceramic; its development reflects the broader push toward solid-state battery architectures that promise higher energy density and improved safety for electric vehicles and portable energy storage systems.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 2.807 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.8640 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 4.298 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.04690 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.065 | 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