Lithium iodide (LiI) is an ionic ceramic compound belonging to the halide family, characterized by a simple rock-salt crystal structure with high ionic bonding. It is primarily used in solid-state electrolytes for lithium-ion batteries and as a precursor material in laboratory synthesis of advanced battery chemistries, where its ionic conductivity and chemical compatibility with lithium metal make it attractive for next-generation energy storage research. Engineers consider LiI when designing all-solid-state battery systems or studying lithium transport mechanisms, though it faces practical challenges including hygroscopicity and limited commercial deployment compared to oxide-based solid electrolytes.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 3,234.3 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 2,114.7 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1514 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 5.620 | eV | Measured | ||
| ↳ | 4.367 | eV | DFT · OptB88vdW | ||
| ↳ | 5.560 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 15.50 | - | DFT · OptB88vdW | ||
| ↳ | 9.122 range 4.349–13.89median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 3.598 | - | DFT · OptB88vdW | ||
| ↳ | 3.119 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.000 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.1728 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.04500 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)2 entries | -1.289 | eV/atom | DFT · OptB88vdW | ||
| ↳ | -1.400 | eV/atom | Measured |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data