LiFeS is a lithium iron sulfide compound that belongs to the family of lithium-metal sulfides, materials of significant interest in advanced battery research and electrochemistry. This material is primarily investigated as a cathode or active component in next-generation lithium-ion and lithium-metal battery systems, where its iron-sulfur chemistry offers potential advantages in energy density and cost compared to conventional oxide-based cathodes. LiFeS represents an exploratory material class rather than a mature commercial product, with research focused on understanding its electrochemical performance, structural stability, and integration into high-energy-density battery architectures for electric vehicles and grid energy storage.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | -330.0 | MPa | DFT · OptB88vdW | ||
Shear Modulus(G) | -3.660 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 1.038 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.07400 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 9.593 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 3.030 | µB | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 3.079 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | 2.123 | 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