KMgH3 is a metal hydride ceramic compound containing potassium, magnesium, and hydrogen, representing an emerging class of hydrogen-storage and energy materials under active research. This material family is being investigated primarily for hydrogen storage applications in fuel cell systems and clean energy infrastructure, where high hydrogen density and thermal stability are critical. KMgH3 is notable as a complex hydride that offers potential advantages in volumetric hydrogen capacity compared to conventional metal hydrides, though engineering adoption remains limited pending development of practical synthesis routes and performance optimization at scale.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 5,496.9 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.1500 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 5,099.5 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.06250 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 3.471 | eV | DFT · OptB88vdW | ||
| ↳ | 5.500 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 9.164 | - | DFT · OptB88vdW | ||
| ↳ | 9.450 | - | DFT · PBE | ||
| ↳ | 6.460 range 3.705–9.214median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 3.487 | - | DFT · OptB88vdW | ||
| ↳ | 2.563 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.1800 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.8000 | 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 | 0.000313 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00243 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -48.68 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 266.3 | 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) | -0.3895 | 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