Ca2Ce2O6
Ca2Ce2O6 is a metastable, semiconducting oxide-ion conductor used primarily in fundamental research on fluorite-type ceramic structures.
About Ca2Ce2O6
Ca2Ce2O6 is a complex oxide belonging to the fluorite-related family of materials. Characterized by its semiconducting electronic nature, this compound represents a metastable phase within the oxide-ion conductor class, offering unique structural configurations for researchers investigating ionic transport mechanisms. Its structural diversity is highlighted by numerous reported configurations across major materials databases, reflecting its significance in fundamental solid-state chemistry studies. As a member of the fluorite-derivative group, it serves as a critical subject for understanding how cation ordering and oxygen vacancy distribution influence the stability and performance of oxide ceramics. It is primarily utilized in experimental materials science to explore the limits of structural stability and the potential for tuning electronic properties in oxygen-deficient lattices.
Key Properties
Cross-validated computational properties for Ca2Ce2O6, 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 Ca2Ce2O6, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.28 | 0.0591 | -8.177 | 5.03 |
| R3c (No. 161) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| I4/mcm (No. 140) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| I4/mcm (No. 140) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| — | — | — | — | — | 3.50 |
Applications
Where Ca2Ce2O6 is used.
Frequently Asked Questions
Common questions about Ca2Ce2O6, answered from cross-validated data.
What is Ca2Ce2O6?
Ca2Ce2O6 is a metastable, semiconducting oxide-ion conductor used primarily in fundamental research on fluorite-type ceramic structures.
What is Ca2Ce2O6 used for?
What is the band gap of Ca2Ce2O6?
Is Ca2Ce2O6 a metal, semiconductor, or insulator?
Is Ca2Ce2O6 thermodynamically stable?
What is the crystal structure of Ca2Ce2O6?
What is the density of Ca2Ce2O6?
How many polymorphs of Ca2Ce2O6 are known?
What elements does Ca2Ce2O6 contain?
Where does the data for Ca2Ce2O6 come from?
How It Compares
Within the fluorite oxide-ion conductors class.
Within the broader class of fluorite-based oxide-ion conductors, Ca2Ce2O6 occupies a distinct niche compared to more stable, widely utilized members like La2Zr2O7 or CaZrO3. While many of its siblings are recognized for their high thermodynamic stability and established roles in solid-oxide fuel cell electrolytes, Ca2Ce2O6 is notable for its metastable character, which distinguishes it from the more conventional, highly ordered structures found in the zirconate and hafnate families.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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