CeTh2O6
CeTh2O6 is a semiconducting ternary oxide of cerium and thorium that is considered likely synthesizable due to its near-hull thermodynamic stability.
About CeTh2O6
CeTh2O6 is a complex oxide composed of cerium, thorium, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from simple binary oxides, making it a candidate for specialized functional applications where both actinide and lanthanide chemistry are relevant. The compound is identified as being near the thermodynamic hull, suggesting that it is likely synthesizable under controlled experimental conditions. Its structural diversity, evidenced by multiple reported configurations in materials databases, highlights its potential for nuanced phase behavior in solid-state chemistry. This material is primarily investigated for its role in nuclear materials science and advanced ceramic development, where the stability and electronic nature of thorium-bearing oxides are critical factors for performance. Its ability to accommodate various structural arrangements makes it a significant entry in the study of complex oxide systems.
Key Properties
Cross-validated computational properties for CeTh2O6, 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 CeTh2O6, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 1.84 | 0.0055 | -9.821 | 9.07 |
| P-3m1 (No. 164) | trigonal | 2.04 | 0.0056 | -9.821 | 9.07 |
| Immm (No. 71) | — | — | — | — | — |
| Immm (No. 71) | Orthorhombic | — | — | — | 8.98 |
| Immm (No. 71) | Orthorhombic | — | — | — | 9.22 |
| Immm (No. 71) | Orthorhombic | — | — | — | 9.08 |
| P-3m1 (No. 164) | — | — | — | — | — |
| P-3m1 (No. 164) | Trigonal | — | — | — | 8.95 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 9.25 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 9.07 |
Applications
Where CeTh2O6 is used.
Frequently Asked Questions
Common questions about CeTh2O6, answered from cross-validated data.
What is CeTh2O6?
CeTh2O6 is a semiconducting ternary oxide of cerium and thorium that is considered likely synthesizable due to its near-hull thermodynamic stability.
What is CeTh2O6 used for?
What is the band gap of CeTh2O6?
Is CeTh2O6 a metal, semiconductor, or insulator?
Is CeTh2O6 thermodynamically stable?
What is the crystal structure of CeTh2O6?
What is the density of CeTh2O6?
How many polymorphs of CeTh2O6 are known?
What elements does CeTh2O6 contain?
Where does the data for CeTh2O6 come from?
How It Compares
As a unique ternary oxide, CeTh2O6 serves as a specialized example of how thorium and cerium can be integrated into a stable crystalline lattice. While it lacks direct siblings in this specific classification, it represents an important case study in how heavy elements influence the semiconducting behavior and thermodynamic stability of complex oxide frameworks.
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.
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