LiAuI4 is an intermetallic compound combining lithium, gold, and iodine, representing a mixed-valent ionic-metallic system with potential layered crystal structure. This is a research-phase material primarily of interest in solid-state chemistry and materials discovery rather than established industrial production. The compound belongs to the broader family of halide-based intermetallics being explored for energy storage, optoelectronic, and quantum materials applications, though it remains in early-stage investigation with limited commercial deployment.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 2,481.6 | ksi | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 98.57 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3000 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 1,243 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.2124 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.6150 | eV | DFT · OptB88vdW | ||
| ↳ | 1.001 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 11.46 | - | DFT · OptB88vdW | ||
| ↳ | 8.341 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 1.387 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.703 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000984 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000878 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -172.5 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 333.1 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 31.92 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.4645 | 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