Pr2Zr2O7
praseodymium zirconate · Pr-zirconate
Pr2Zr2O7 is a stable, insulating oxide ceramic primarily utilized for its thermal resistance and ionic transport properties in advanced materials engineering.
About praseodymium zirconate
Pr2Zr2O7 is a robust oxide material that crystallizes in a stable pyrochlore structure. As a wide-gap insulator, it exhibits excellent dielectric properties and structural integrity, making it a reliable candidate for high-temperature applications where chemical and thermal stability are paramount.
Beyond its fundamental stability, this compound is highly valued for its ionic conductivity and resistance to sintering. Its ability to maintain a stable lattice under demanding conditions allows it to function effectively in advanced energy conversion systems and protective coating technologies.
Key Properties
Cross-validated computational properties for praseodymium zirconate, aggregated across 2 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Pr2Zr2O7, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 3.46 | 0.0000 | -9.404 | 6.16 |
| Fd-3m (No. 227) | — | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Pr2Zr2O7.
Applications
Where praseodymium zirconate is used.
Frequently Asked Questions
Common questions about praseodymium zirconate, answered from cross-validated data.
What is Pr2Zr2O7?
Pr2Zr2O7 is a stable, insulating oxide ceramic primarily utilized for its thermal resistance and ionic transport properties in advanced materials engineering.
What is Pr2Zr2O7 used for?
What is the band gap of Pr2Zr2O7?
Is Pr2Zr2O7 a metal, semiconductor, or insulator?
Is Pr2Zr2O7 thermodynamically stable?
What is the crystal structure of Pr2Zr2O7?
What is the density of Pr2Zr2O7?
How many polymorphs of Pr2Zr2O7 are known?
How is Pr2Zr2O7 synthesized?
What elements does Pr2Zr2O7 contain?
Where does the data for Pr2Zr2O7 come from?
How It Compares
Within the perovskite oxides class.
While many perovskite oxides in this class, such as BaTiO3 and BiFeO3, are widely utilized for their ferroelectric or magnetic properties, Pr2Zr2O7 distinguishes itself through its pyrochlore architecture and superior thermal stability. Unlike the complex electronic transitions found in LaNiO3 or LaMnO3, this zirconate remains a stable insulator, positioning it as a specialized material for structural and thermal management rather than electronic switching.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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