ZrO2
Zirconium dioxide · Zirconia
Zirconium dioxide is a highly stable, insulating ceramic oxide widely used for its durability and dielectric properties in industrial and technological applications.
About Zirconium dioxide
Zirconium dioxide is a robust, insulating ceramic material characterized by its exceptional thermodynamic stability. As a highly versatile oxide, it serves as a foundational building block for advanced materials science, prized for its ability to maintain structural integrity under demanding conditions. Its electronic properties make it an essential dielectric component in modern technological applications. The extensive body of structural data available for this compound underscores its significance as a primary material in both industrial and research settings. Its prevalence in diverse structural configurations highlights its adaptability and importance in engineering high-durability components.
Key Properties
Cross-validated computational properties for Zirconium dioxide, aggregated across 4 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 ZrO2, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.53 | 0.0000 | -9.961 | 5.78 |
| Pbca (No. 61) | orthorhombic | 3.54 | 0.0095 | -9.952 | 5.78 |
| Pbca (No. 61) | orthorhombic | 3.58 | 0.0133 | -9.948 | 6.03 |
| Pca21 (No. 29) | orthorhombic | 3.69 | 0.0167 | -9.945 | 5.98 |
| P42/nmc (No. 137) | tetragonal | 3.85 | 0.0271 | -9.934 | 6.04 |
| Pnma (No. 62) | orthorhombic | 3.96 | 0.0280 | -9.934 | 5.71 |
| Pnma (No. 62) | orthorhombic | 3.21 | 0.0288 | -9.933 | 5.99 |
| P4/n (No. 85) | tetragonal | 3.42 | 0.0473 | -9.914 | 6.23 |
| I41/amd (No. 141) | tetragonal | 3.45 | 0.0482 | -9.913 | 4.75 |
| Fm-3m (No. 225) | cubic | 3.13 | 0.0557 | -9.906 | 6.21 |
| Pbca (No. 61) | orthorhombic | 3.72 | 0.0609 | -9.901 | 5.10 |
| P42/mnm (No. 136) | tetragonal | 3.43 | 0.0627 | -9.899 | 5.30 |
Applications
Where Zirconium dioxide is used.
Frequently Asked Questions
Common questions about Zirconium dioxide, answered from cross-validated data.
What is ZrO2?
Zirconium dioxide is a highly stable, insulating ceramic oxide widely used for its durability and dielectric properties in industrial and technological applications.
What is ZrO2 used for?
What is the band gap of ZrO2?
Is ZrO2 a metal, semiconductor, or insulator?
Is ZrO2 thermodynamically stable?
What is the crystal structure of ZrO2?
What is the density of ZrO2?
How many polymorphs of ZrO2 are known?
What elements does ZrO2 contain?
Where does the data for ZrO2 come from?
How It Compares
As a primary oxide in its class, zirconium dioxide serves as a benchmark for high-performance ceramic materials, offering superior stability and insulating characteristics that define the performance standards for similar refractory oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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