NaCaH6Ir is a complex hydride ceramic compound containing sodium, calcium, hydrogen, and iridium elements. This is a research-phase material studied primarily in solid-state chemistry and materials science contexts, particularly for its potential in hydrogen storage, energy applications, and advanced ceramic systems where iridium's noble metal properties combined with hydride chemistry may offer unique electrochemical or thermal characteristics. The material represents an exploratory composition within the broader family of metal hydride ceramics, which are of interest for next-generation energy storage and catalytic applications, though practical industrial deployment remains limited to specialized research environments.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 45.30 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2200 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 31.08 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.686 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 3.537 | eV | DFT · OptB88vdW | ||
| ↳ | 3.810 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 4.463 | - | DFT · OptB88vdW | ||
| ↳ | 3.709 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.2300 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.5719 | 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