CErO4
CErO4 is a metastable, semiconducting ternary oxide containing cerium, erbium, and oxygen used in specialized materials science research.
About CErO4
CErO4 is a complex inorganic compound composed of cerium, erbium, and oxygen. As a semiconducting material, it exhibits electronic behavior that makes it a subject of interest for researchers investigating specialized functional oxides. Its metastable nature suggests that its synthesis and structural integrity are highly sensitive to processing conditions, requiring precise control to maintain its specific phase. The compound represents an intriguing intersection of rare-earth chemistry and oxide materials, offering potential pathways for developing advanced electronic or optical components. Because it exists in a metastable state, it is often studied to understand the limits of structural stability within complex ternary oxide systems.
Key Properties
Cross-validated computational properties for CErO4, aggregated across 2 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CErO4. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for CErO4, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for CErO4, 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. |
|---|---|---|---|---|---|
| P-6 (No. 174) | hexagonal | 0.14 | 0.0485 | -8.125 | 6.09 |
| P212121 (No. 19) | orthorhombic | 0.79 | 0.0878 | -8.085 | 5.42 |
| P212121 (No. 19) | orthorhombic | — | — | 0.000 | — |
Applications
Where CErO4 is used.
Frequently Asked Questions
Common questions about CErO4, answered from cross-validated data.
What is CErO4?
CErO4 is a metastable, semiconducting ternary oxide containing cerium, erbium, and oxygen used in specialized materials science research.
What is CErO4 used for?
What is the band gap of CErO4?
Is CErO4 a metal, semiconductor, or insulator?
Is CErO4 thermodynamically stable?
What is the crystal structure of CErO4?
What is the density of CErO4?
How many polymorphs of CErO4 are known?
What elements does CErO4 contain?
Where does the data for CErO4 come from?
How It Compares
As a unique ternary oxide, CErO4 occupies a specialized niche in materials research where its semiconducting nature distinguishes it from more common, highly stable insulating oxides. Without direct structural siblings in this specific class, it serves as a critical reference point for understanding how the integration of erbium into cerium-based oxide frameworks influences electronic transport and structural metastability.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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