CeThO4
CeThO4 is a semiconducting mixed-metal oxide composed of cerium, thorium, and oxygen that is considered a viable target for laboratory synthesis.
About CeThO4
CeThO4 is a complex oxide featuring cerium and thorium as the primary metallic cations. Its electronic character classifies it as a semiconductor, positioning it as a material of interest for specialized electronic or catalytic applications where specific charge transport properties are required.
Given its status as a near-hull compound, CeThO4 is considered thermodynamically accessible for synthesis. The existence of multiple reported structural configurations suggests a degree of flexibility in its atomic arrangement, which is a critical factor for researchers exploring new functional inorganic oxides.
Key Properties
Cross-validated computational properties for CeThO4, 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 CeThO4, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 1.65 | 0.0072 | -9.664 | 8.61 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 8.60 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 8.50 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 8.75 |
Applications
Where CeThO4 is used.
Frequently Asked Questions
Common questions about CeThO4, answered from cross-validated data.
What is CeThO4?
CeThO4 is a semiconducting mixed-metal oxide composed of cerium, thorium, and oxygen that is considered a viable target for laboratory synthesis.
What is CeThO4 used for?
What is the band gap of CeThO4?
Is CeThO4 a metal, semiconductor, or insulator?
Is CeThO4 thermodynamically stable?
What is the crystal structure of CeThO4?
What is the density of CeThO4?
How many polymorphs of CeThO4 are known?
What elements does CeThO4 contain?
Where does the data for CeThO4 come from?
How It Compares
As a unique oxide containing both cerium and thorium, CeThO4 occupies a distinct niche in the landscape of mixed-metal oxides. Without direct structural siblings in this specific class, it serves as a primary example of how actinide and lanthanide elements can be combined to create stable, semiconducting architectures.
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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