LiNiP₂S₆ is a layered transition metal phosphide sulfide compound belonging to the family of mixed-anion metal chalcogenides, currently in the research and development phase rather than established industrial production. This material is being investigated for energy storage and electrochemical applications, particularly as a potential cathode or electrolyte component in lithium-ion and solid-state battery systems, where its layered crystal structure and mixed ionic-electronic conductivity offer advantages over conventional oxide-based materials. Engineers evaluating LiNiP₂S₆ would consider it for next-generation battery chemistries where improved ionic transport, cycling stability, or energy density is critical, though material synthesis and scalability remain active research areas.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 5,193.8 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3000 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 2,675.9 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1010 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.000 | eV | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 0.9540 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000227 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000213 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | 30.36 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 29.57 | 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) | -0.4520 | 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