Li3Ni3OF7 is an experimental lithium nickel oxyfluoride ceramic compound under investigation for energy storage and electrochemical applications. This material belongs to the family of mixed-anion (oxide-fluoride) lithium compounds, which are being researched as potential cathode or solid electrolyte materials due to their unique ionic and electronic properties that differ from conventional oxide ceramics. The incorporation of fluoride ions alongside oxides can enhance lithium-ion conductivity and electrochemical stability, making this compound of interest in next-generation battery and energy storage research rather than established industrial production.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.878 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.8670 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 40.93 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 6.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000257 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000195 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -370.3 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 438 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.06260 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.175 | 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