LiNi₃OF₅ is a lithium nickel oxide fluoride ceramic compound belonging to the family of mixed-anion oxyfluoride materials. This is a research-phase compound studied for its potential as a high-energy-density cathode material in advanced lithium-ion battery systems, where the incorporation of fluoride anions alongside oxides can modify electronic structure and electrochemical performance compared to conventional oxide cathodes.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1678 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.1840 | eV | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 5.958 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 3.305 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.08410 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.772 | 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