CaAlH5 is an experimental metal hydride compound containing calcium, aluminum, and hydrogen, belonging to the complex hydride family of materials under active research for hydrogen storage applications. This material is primarily investigated in laboratory and development settings rather than established industrial production, with potential relevance to clean energy systems where reversible hydrogen absorption and release are critical. Engineers would consider this material class for next-generation hydrogen storage solutions that require lightweight, high-capacity systems, though the compound remains in the research phase with limited commercial availability compared to conventional hydride or carbon-based storage alternatives.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 36.08 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.1700 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 31.15 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 1.788 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 3.347 | eV | DFT · OptB88vdW | ||
| ↳ | 4.595 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 17.25 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 4.730 | - | DFT · OptB88vdW | ||
| ↳ | 3.596 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.7000 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.180 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.03676 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00185 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00301 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -223.7 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 326.7 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.3819 | 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