RbCaH3 is a metal hydride ceramic compound combining rubidium, calcium, and hydrogen, representing an emerging class of hydrogen-storage and solid-state ion-conducting materials under active research. This compound is not yet established in mainstream industrial production but is studied primarily in the context of hydrogen energy storage systems and solid-state battery electrolytes, where its hydrogen content and ionic conductivity potential offer advantages over conventional ceramic electrolytes. Engineers considering RbCaH3 should recognize it as an experimental material relevant to next-generation energy storage and hydrogen economy applications, rather than a proven production material.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 3,789.8 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.1900 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 2,996.5 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.08418 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 3.345 | eV | DFT · OptB88vdW | ||
| ↳ | 4.936 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 10.07 | - | DFT · OptB88vdW | ||
| ↳ | 11.55 | - | DFT · PBE | ||
| ↳ | 7.517 range 3.312–11.72median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 3.183 | - | DFT · OptB88vdW | ||
| ↳ | 2.507 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.5500 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.100 | 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 | 0.00218 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00148 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -212.5 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 433.6 | 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) | 0.01020 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.5169 | 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