CaAlSiH is an experimental intermetallic hydride compound combining calcium, aluminum, silicon, and hydrogen—a member of the complex metal hydride family under active research for energy storage and hydrogen-related applications. While not yet commercialized in mainstream engineering, this material type is investigated primarily in academic and laboratory settings for potential use in hydrogen storage systems and advanced lightweight structural applications where hydrogen incorporation offers unique property combinations.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 61.31 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2100 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 42.51 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 2.273 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.5460 | eV | DFT · OptB88vdW | ||
| ↳ | 0.7990 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 23.49 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 14.71 | - | DFT · OptB88vdW | ||
| ↳ | 12.66 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.6467 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.3533 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.2021 | C/m² | DFT · OptB88vdW | ||
| ↳ | 1.045 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.00413 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000900 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -240.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 129.6 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 26.32 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00830 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.4837 | 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