Magnesium hydride (MgH2) is an ionic ceramic compound and hydrogen storage material composed of magnesium and hydrogen. It is primarily investigated as a solid-state hydrogen storage medium for energy applications, where its high volumetric hydrogen density makes it attractive for fuel cell systems and portable power generation. MgH2 remains largely in the research and development phase rather than widespread industrial production, but represents a promising alternative to liquid hydrogen storage and other hydride materials due to its relatively abundant constituent elements and potential for reversible hydrogen release through thermal decomposition.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 56.83 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2100 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 40.82 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 1.570 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 4.085 | eV | DFT · OptB88vdW | ||
| ↳ | 5.806 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 10.71 | - | DFT · OptB88vdW | ||
| ↳ | 11.04 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 3.784 | - | DFT · OptB88vdW | ||
| ↳ | 2.771 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.5300 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.613 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.000 | C/m² | DFT · OptB88vdW | ||
| ↳ | 1.398 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.00331 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00350 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -270.7 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 408.1 | 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) | 0.03880 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)2 entries | -0.2580 | eV/atom | DFT · OptB88vdW | ||
| ↳ | -0.2629 | eV/atom | Measured |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data