Ba2H6Ru is a barium ruthenium hydride ceramic compound combining alkaline earth metal, transition metal, and hydrogen phases—a rare material primarily of research interest rather than established industrial use. This material class is explored for potential applications in hydrogen storage, catalysis, and advanced ceramics, though Ba2H6Ru itself remains largely experimental; its significance lies in understanding metal hydride chemistry and the possibility of leveraging ruthenium's catalytic properties combined with hydrogen-rich ceramic matrices for next-generation functional materials.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 45.20 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2900 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 22.80 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.863 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.854 | eV | DFT · OptB88vdW | ||
| ↳ | 2.152 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 10.94 | - | DFT · OptB88vdW | ||
| ↳ | 11.69 | - | DFT · PBE | ||
| ↳ | 8.035 range 4.636–11.43median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 5.062 | - | DFT · OptB88vdW | ||
| ↳ | 4.415 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00278 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000785 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -356.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 478.9 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 19.73 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.5815 | 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