BaNaH3Pd is an experimental ceramic compound containing barium, sodium, hydrogen, and palladium elements, currently of primary research interest rather than established industrial use. This material belongs to the family of complex metal hydrides and intermetallic ceramics, which are being investigated for hydrogen storage, catalytic applications, and advanced functional materials. The incorporation of palladium suggests potential catalytic or hydrogen-related properties that could address energy storage or chemical processing needs in next-generation applications.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.576 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.587 | eV | DFT · OptB88vdW | ||
| ↳ | 2.020 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 15.29 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 6.415 | - | DFT · OptB88vdW | ||
| ↳ | 5.198 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 1.030 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.9567 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00451 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00202 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -327.3 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 273 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 22.52 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00780 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.4644 | 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