Y2Zr2O7
Yttrium zirconate · Yttrium zirconium oxide, YZO
Yttrium zirconate is a ceramic material characterized by its high structural stability and resistance to extreme environments. It is primarily utilized as a thermal barrier coating due to its ability to withstand intense heat and prevent degradation of underlying metallic components.
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) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.22 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.52 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.34 |
| C2/m (No. 12) | — | — | — | — | — |
| Fd-3m (No. 227) | Cubic | — | — | — | 5.26 |
| Fd-3m (No. 227) | Cubic | — | — | — | 5.67 |
| Fd-3m (No. 227) | Cubic | — | — | — | 5.43 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Y2Zr2O7.
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 ceramic material characterized by its high structural stability and resistance to extreme environments. It is primarily utilized as a thermal barrier coating due to its ability to withstand intense heat and prevent degradation of underlying metallic components.
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?
How is Y2Zr2O7 synthesized?
What elements does Y2Zr2O7 contain?
Where does the data for Y2Zr2O7 come from?
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.
Analyze Y2Zr2O7 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →