Ce2ThO6
Ce2ThO6 is a semiconducting ternary oxide of cerium and thorium that is considered likely to be synthesizable due to its favorable thermodynamic stability.
About Ce2ThO6
Ce2ThO6 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, positioning it as a candidate for specialized functional applications in materials science.
Its thermodynamic profile suggests it sits near the stability hull, indicating that it is likely synthesizable under appropriate experimental conditions. The existence of multiple reported structural variations across databases highlights its potential for structural diversity and complexity in the solid state.
Key Properties
Cross-validated computational properties for Ce2ThO6, 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 Ce2ThO6, 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 | 1.96 | 0.0056 | -9.510 | 8.13 |
| P-3m1 (No. 164) | trigonal | 2.02 | 0.0058 | -9.510 | 8.12 |
| Immm (No. 71) | — | — | — | — | — |
| P-3m1 (No. 164) | Trigonal | — | — | — | 8.01 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 8.12 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 8.27 |
Applications
Where Ce2ThO6 is used.
Frequently Asked Questions
Common questions about Ce2ThO6, answered from cross-validated data.
What is Ce2ThO6?
Ce2ThO6 is a semiconducting ternary oxide of cerium and thorium that is considered likely to be synthesizable due to its favorable thermodynamic stability.
What is Ce2ThO6 used for?
What is the band gap of Ce2ThO6?
Is Ce2ThO6 a metal, semiconductor, or insulator?
Is Ce2ThO6 thermodynamically stable?
What is the crystal structure of Ce2ThO6?
What is the density of Ce2ThO6?
How many polymorphs of Ce2ThO6 are known?
What elements does Ce2ThO6 contain?
Where does the data for Ce2ThO6 come from?
How It Compares
As a unique ternary oxide, Ce2ThO6 occupies a distinct niche in materials research. Without direct siblings in this specific chemical grouping, it serves as an important reference point for understanding the interplay between lanthanide and actinide elements within 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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