BaReH9 is a barium-rhenium hydride compound classified as a semiconductor, representing an experimental material in the metal hydride family. This compound is primarily of research interest for its potential in hydrogen storage, catalysis, and advanced electronic applications where the unique electronic properties of rare-earth and transition-metal hydrides may offer advantages over conventional semiconductors. While not yet established in mainstream industrial production, materials in this chemical family are being investigated for next-generation energy storage systems and specialty electronic devices.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 35.76 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2700 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 19.15 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.858 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 3.440 | eV | Measured | ||
| ↳ | 3.758 | eV | DFT · OptB88vdW | ||
| ↳ | 4.801 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 4.241 | - | DFT · OptB88vdW | ||
| ↳ | 3.242 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00153 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00150 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -225.6 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 235.1 | 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) | -0.2868 | 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