CeO20Zr9
CeO20Zr9 is a metastable, semiconducting oxide of cerium and zirconium used primarily in fundamental materials science research.
About CeO20Zr9
CeO20Zr9 is a complex oxide composed of cerium, zirconium, and oxygen. As a semiconducting material, it exhibits electronic properties that are of significant interest for researchers investigating the behavior of rare-earth and transition metal oxide systems. Its composition suggests a intricate structural arrangement that bridges the characteristics of its constituent elements.
This compound is classified as metastable, indicating that its formation and persistence are highly sensitive to synthesis conditions. While it is not a common industrial commodity, the existence of multiple reported structures across databases highlights its role as a subject of fundamental study in solid-state chemistry and materials science.
Key Properties
Cross-validated computational properties for CeO20Zr9, 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 CeO20Zr9, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 2.28 | 0.0457 | -9.840 | 5.94 |
| P1 (No. 1) | — | — | — | — | — |
| — | — | — | — | — | 3.82 |
Applications
Where CeO20Zr9 is used.
Frequently Asked Questions
Common questions about CeO20Zr9, answered from cross-validated data.
What is CeO20Zr9?
CeO20Zr9 is a metastable, semiconducting oxide of cerium and zirconium used primarily in fundamental materials science research.
What is CeO20Zr9 used for?
What is the band gap of CeO20Zr9?
Is CeO20Zr9 a metal, semiconductor, or insulator?
Is CeO20Zr9 thermodynamically stable?
What is the crystal structure of CeO20Zr9?
What is the density of CeO20Zr9?
How many polymorphs of CeO20Zr9 are known?
What elements does CeO20Zr9 contain?
Where does the data for CeO20Zr9 come from?
How It Compares
As a unique oxide phase, CeO20Zr9 represents a specialized stoichiometry within the broader family of cerium-zirconium mixed oxides. Unlike more common, highly stable solid solutions used in catalysis, this specific compound occupies a distinct structural niche that requires precise control to achieve, serving as an important reference point for understanding phase complexity in this chemical system.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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