ZrP2H2O6 is a layered zirconium phosphate ceramic compound belonging to the family of metal phosphates, which are known for their layered crystalline structures and ion-exchange capabilities. This material is primarily of research interest for applications requiring ion-selective separation, water purification, and thermal management, where its layered architecture enables intercalation of guest species and potential exfoliation into nanosheets. Compared to conventional ion-exchange resins, metal phosphates offer superior thermal stability and chemical durability, making them candidates for harsh-environment separations and advanced ceramic composites, though widespread industrial adoption remains limited.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 4,509.2 | ksi | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 48.15 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.1300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 4,932.7 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1082 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 4.505 | eV | DFT · OptB88vdW | ||
| ↳ | 5.082 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 3.243 | - | DFT · OptB88vdW | ||
| ↳ | 2.736 | - | 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) | -2.229 | 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