Y2Zr2O7
Yttrium zirconate · Yttria-stabilized zirconia pyrochlore
Yttrium zirconate is a metastable, insulating oxide ceramic used primarily in high-temperature thermal protection and ionic conduction technologies.
About Yttrium zirconate
Yttrium zirconate is a complex oxide belonging to the fluorite-related family of materials. As a wide-band-gap insulator, it exhibits unique structural characteristics that make it a subject of significant interest in materials science, particularly for its role in oxygen-ion transport processes.
Despite its metastable nature, the compound is highly valued for its structural versatility. It is primarily utilized in high-temperature environments where its ability to maintain stability and manage thermal loads is essential for advanced engineering applications.
Key Properties
Cross-validated computational properties for Yttrium zirconate, aggregated across 3 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 Y2Zr2O7, 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 | 2.82 | 0.0596 | -9.728 | 5.26 |
| P21 (No. 4) | monoclinic | 4.07 | 0.0644 | -9.723 | 5.23 |
| C2/m (No. 12) | monoclinic | 4.45 | 0.0752 | -9.713 | 4.22 |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | Cubic | — | — | — | 5.26 |
| Fd-3m (No. 227) | Cubic | — | — | — | 5.67 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.34 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.52 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.22 |
| Fd-3m (No. 227) | Cubic | — | — | — | 5.43 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Yttrium zirconate is used.
Frequently Asked Questions
Common questions about Yttrium zirconate, answered from cross-validated data.
What is Y2Zr2O7?
Yttrium zirconate is a metastable, insulating oxide ceramic used primarily in high-temperature thermal protection and ionic conduction technologies.
What is Y2Zr2O7 used for?
What is the band gap of Y2Zr2O7?
Is Y2Zr2O7 a metal, semiconductor, or insulator?
Is Y2Zr2O7 thermodynamically stable?
What is the crystal structure of Y2Zr2O7?
What is the density of Y2Zr2O7?
How many polymorphs of Y2Zr2O7 are known?
What elements does Y2Zr2O7 contain?
Where does the data for Y2Zr2O7 come from?
How It Compares
Within the fluorite oxide-ion conductors class.
Within the diverse family of fluorite-related oxide-ion conductors, Y2Zr2O7 stands out for its specific structural arrangement compared to more common pyrochlore-structured counterparts like La2Zr2O7. While many members of this class are explored for their ionic conductivity, Y2Zr2O7 is particularly noted for its performance in thermal barrier systems, differentiating it from the broader structural trends seen in compounds like CaZrO3 or Y4Zr3O12.
Related Compounds
Other Fluorite Oxide-Ion Conductors 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).
- mpaloe — Data from mpaloe.
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