Na2HfH6O6 is an inorganic ceramic compound containing sodium, hafnium, hydrogen, and oxygen—a hydride-oxide system that represents an emerging class of advanced ceramics with potential high-temperature and structural applications. This material is primarily encountered in research and development contexts rather than established industrial production, where it is studied for its combined ionic and covalent bonding characteristics that may enable novel properties in refractory, electrochemical, or energy storage systems. The hafnium-containing composition positions it within the family of refractory ceramics, where hafnium compounds are valued for extreme thermal stability, though this specific hydride-oxide form remains relatively unexplored compared to conventional hafnia ceramics.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 34.51 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2200 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 23.87 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.720 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 4.758 | eV | DFT · OptB88vdW | ||
| ↳ | 7.322 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 2.816 | - | DFT · OptB88vdW | ||
| ↳ | 2.191 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
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) | -1.741 | 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