CeTh3O8
CeTh3O8 is a semiconducting complex oxide of cerium and thorium that is considered a viable candidate for laboratory synthesis.
About CeTh3O8
CeTh3O8 is a complex oxide composed of cerium, thorium, and oxygen. As a semiconducting material, it occupies a unique position in the landscape of actinide-lanthanide oxides, offering potential for specialized electronic applications where precise band structure control is required.
Its status as a near-hull phase suggests that it is thermodynamically accessible, positioning it as a viable target for experimental synthesis. With multiple reported structures across various databases, it serves as a significant subject for researchers investigating the interplay between rare-earth and actinide coordination environments.
Key Properties
Cross-validated computational properties for CeTh3O8, 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 CeTh3O8, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 2.12 | 0.0043 | -9.900 | 9.30 |
| Cmmm (No. 65) | orthorhombic | 1.78 | 0.0053 | -9.899 | 9.30 |
| Cmmm (No. 65) | — | — | — | — | — |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 9.20 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 9.30 |
| R-3m (No. 166) | Trigonal | — | — | — | 9.47 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 9.46 |
| R-3m (No. 166) | Trigonal | — | — | — | 9.19 |
| R-3m (No. 166) | Trigonal | — | — | — | 9.30 |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where CeTh3O8 is used.
Frequently Asked Questions
Common questions about CeTh3O8, answered from cross-validated data.
What is CeTh3O8?
CeTh3O8 is a semiconducting complex oxide of cerium and thorium that is considered a viable candidate for laboratory synthesis.
What is CeTh3O8 used for?
What is the band gap of CeTh3O8?
Is CeTh3O8 a metal, semiconductor, or insulator?
Is CeTh3O8 thermodynamically stable?
What is the crystal structure of CeTh3O8?
What is the density of CeTh3O8?
How many polymorphs of CeTh3O8 are known?
What elements does CeTh3O8 contain?
Where does the data for CeTh3O8 come from?
How It Compares
As a specialized oxide phase, CeTh3O8 represents a distinct structural arrangement within the broader family of mixed-metal oxides. While it lacks direct siblings in this specific dataset, its stability profile and semiconducting nature distinguish it from simpler binary oxides, highlighting its role as a complex building block in modern materials design.
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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