CaHI is an experimental ceramic compound in the calcium hydride family, currently under investigation in materials research rather than established in mainstream industrial production. This material is of particular interest in the hydrogen storage and advanced ceramics communities, where researchers are exploring its potential for energy applications and as a precursor to other functional ceramic systems. Its notable characteristics within this research context include layered crystal structure and properties that make it a candidate for studying hydrogen interaction mechanisms in solid-state systems.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 4,007.4 | ksi | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 48.83 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2200 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 2,657.1 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1427 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 3.616 | eV | DFT · OptB88vdW | ||
| ↳ | 4.238 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 9.204 | - | DFT · OptB88vdW | ||
| ↳ | 7.830 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 4.771 | - | DFT · OptB88vdW | ||
| ↳ | 4.179 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.6700 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.357 | 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 | 0.00207 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00143 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -220.9 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 309.6 | 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) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.230 | 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