Ce2Y2O7
Ce2Y2O7 is a metastable, semiconducting oxide-ion conductor used in materials science research for its potential in electrochemical applications.
About Ce2Y2O7
Ce2Y2O7 is a complex oxide belonging to the fluorite-related family of materials. Characterized by its semiconducting electronic nature, this compound represents a metastable phase that offers unique pathways for ion transport within its crystal lattice.
Its significance lies in the ongoing search for stable, high-performance electrolytes capable of operating in demanding thermal environments. As a member of the fluorite oxide-ion conductor class, it is studied for its ability to facilitate oxygen mobility, which is critical for the development of next-generation electrochemical devices.
Key Properties
Cross-validated computational properties for Ce2Y2O7, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Ce2Y2O7. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Ce2Y2O7, 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 | 1.73 | 0.0398 | -9.311 | 5.91 |
| Pmma (No. 51) | orthorhombic | 1.65 | 0.0680 | -9.283 | 5.92 |
| P-4m2 (No. 115) | tetragonal | 1.77 | 0.0774 | -3.688 | — |
| P-4m2 (No. 115) | tetragonal | 2.05 | 0.0901 | -9.261 | 5.86 |
| Pmma (No. 51) | orthorhombic | — | — | — | 6.18 |
| P-4m2 (No. 115) | tetragonal | — | — | — | 5.97 |
| Pmma (No. 51) | orthorhombic | — | — | — | 6.05 |
| P-4m2 (No. 115) | tetragonal | — | — | — | 6.14 |
| P-4m2 (No. 115) | tetragonal | — | — | — | 5.86 |
| Pmma (No. 51) | orthorhombic | — | — | — | 5.92 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Ce2Y2O7.
Applications
Where Ce2Y2O7 is used.
Frequently Asked Questions
Common questions about Ce2Y2O7, answered from cross-validated data.
What is Ce2Y2O7?
Ce2Y2O7 is a metastable, semiconducting oxide-ion conductor used in materials science research for its potential in electrochemical applications.
What is Ce2Y2O7 used for?
What is the band gap of Ce2Y2O7?
Is Ce2Y2O7 a metal, semiconductor, or insulator?
Is Ce2Y2O7 thermodynamically stable?
What is the crystal structure of Ce2Y2O7?
How many polymorphs of Ce2Y2O7 are known?
How is Ce2Y2O7 synthesized?
What elements does Ce2Y2O7 contain?
Where does the data for Ce2Y2O7 come from?
How It Compares
Within the fluorite oxide-ion conductors class.
Within the broader class of fluorite-based conductors, Ce2Y2O7 occupies a distinct niche compared to more traditional, highly stable zirconate-based structures like La2Zr2O7 or Y2Zr2O7. While many of its siblings are prized for their exceptional thermodynamic robustness, Ce2Y2O7 is notable for its metastable character, which provides a different structural framework that researchers investigate to tune ionic conductivity and electronic behavior.
Related Compounds
Other Fluorite Oxide-Ion Conductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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