CeVO4
cerium orthovanadate · cerium vanadate
Cerium orthovanadate is a semiconducting, metastable inorganic oxide used in specialized research for its unique electronic and structural characteristics.
About cerium orthovanadate
Cerium orthovanadate is a complex oxide featuring cerium and vanadium. As a semiconducting material, it exhibits unique electronic properties that make it a subject of interest for researchers investigating functional inorganic oxides. Its metastable nature suggests a sensitivity to synthesis conditions, which allows for structural diversity across different experimental environments. The compound is frequently studied for its potential in catalytic and optical applications where specific electronic configurations are required. Its structural versatility is evidenced by the numerous reported configurations found in materials databases, highlighting its role as a flexible platform for solid-state chemistry.
Key Properties
Cross-validated computational properties for cerium orthovanadate, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CeVO4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for CeVO4, 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. |
|---|---|---|---|---|---|
| — | — | 3.39 | 0.0000 | -3.074 | — |
| I41/a (No. 88) | tetragonal | 0.00 | 0.0000 | -3.160 | — |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.0028 | -3.157 | — |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0250 | -3.135 | — |
| — | — | 3.79 | 0.0747 | -2.999 | — |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.0770 | -8.950 | 4.83 |
| I41/a (No. 88) | tetragonal | 0.28 | 0.0928 | -8.934 | 5.56 |
| P21/c (No. 14) | monoclinic | 0.20 | 0.1303 | -8.897 | 5.07 |
| P21/c (No. 14) | monoclinic | 0.33 | 0.1333 | -8.894 | 5.42 |
| P21/c (No. 14) | monoclinic | 0.73 | 0.1716 | -8.855 | 5.30 |
| I41/amd (No. 141) | tetragonal | — | — | — | 4.94 |
| I41/amd (No. 141) | tetragonal | — | — | — | 5.12 |
Synthesis Routes
Literature-extracted synthesis procedures targeting CeVO4.
Applications
Where cerium orthovanadate is used.
Frequently Asked Questions
Common questions about cerium orthovanadate, answered from cross-validated data.
What is CeVO4?
Cerium orthovanadate is a semiconducting, metastable inorganic oxide used in specialized research for its unique electronic and structural characteristics.
What is CeVO4 used for?
What is the band gap of CeVO4?
Is CeVO4 a metal, semiconductor, or insulator?
Is CeVO4 thermodynamically stable?
What is the crystal structure of CeVO4?
How many polymorphs of CeVO4 are known?
How is CeVO4 synthesized?
What elements does CeVO4 contain?
Where does the data for CeVO4 come from?
How It Compares
As a member of the orthovanadate family, this compound serves as a critical example of how rare-earth elements influence the stability and electronic behavior of vanadium-based oxides. It occupies a distinct niche in the study of metastable materials, providing a benchmark for understanding the phase transitions and structural evolution common to this class of inorganic compounds.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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