BaH₂O₃ is an inorganic ceramic compound containing barium, hydrogen, and oxygen—a hydride-oxide material that falls within the broader family of metal hydride ceramics. This is a research-phase compound rather than an established commercial material; it represents exploratory work in ceramic chemistry where hydrogen incorporation can modify crystal structure, mechanical response, and functional properties compared to conventional oxide ceramics. The material shows potential interest in layered ceramic systems and hydrogen-storage applications, though industrial deployment remains limited pending further development of synthesis methods and property optimization.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Exfoliation Energy(Eexf) | 78.32 | meV/atom | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.279 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 3.009 | eV | DFT · OptB88vdW | ||
| ↳ | 4.623 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 9.960 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 3.341 | - | DFT · OptB88vdW | ||
| ↳ | 2.768 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.2757 | C/m² | DFT · OptB88vdW | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.07250 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.505 | 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