CePO4
Cerium phosphate · Cerium orthophosphate, Monazite-(Ce)
Cerium phosphate is a stable, semiconducting inorganic material known for its structural diversity and utility in advanced ceramic and optical technologies.
About Cerium phosphate
Cerium phosphate is a thermodynamically stable inorganic compound that exists in multiple structural forms. Its electronic character as a semiconductor makes it a subject of significant interest for researchers investigating advanced functional materials. The high structural diversity of this compound, evidenced by numerous reported configurations, highlights its versatility in solid-state chemistry. It serves as a foundational material for developing specialized ceramics and phosphors that require robust thermal and chemical stability. By leveraging its unique electronic properties, engineers utilize this compound in high-performance applications where durability and consistent performance under varying conditions are essential.
Key Properties
Cross-validated computational properties for Cerium phosphate, 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 CePO4. 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 CePO4, 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. |
|---|---|---|---|---|---|
| — | — | 5.99 | 0.0000 | -3.297 | — |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.0000 | -3.063 | — |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0000 | -8.623 | 5.19 |
| — | — | 5.59 | 0.0084 | -3.288 | — |
| — | — | 5.73 | 0.0088 | -3.288 | — |
| — | — | 5.84 | 0.0169 | -3.280 | — |
| — | — | 5.74 | 0.0187 | -3.278 | — |
| P6422 (No. 181) | hexagonal | 0.00 | 0.0233 | -3.039 | — |
| P6222 (No. 180) | hexagonal | 0.00 | 0.0233 | -3.039 | — |
| P6222 (No. 180) | hexagonal | 0.10 | 0.0283 | -8.595 | 4.12 |
| P6422 (No. 181) | hexagonal | 0.10 | 0.0283 | -8.595 | 4.11 |
| P21/c (No. 14) | monoclinic | 0.08 | 0.0515 | -8.572 | 4.94 |
Synthesis Routes
Literature-extracted synthesis procedures targeting CePO4.
Applications
Where Cerium phosphate is used.
Frequently Asked Questions
Common questions about Cerium phosphate, answered from cross-validated data.
What is CePO4?
Cerium phosphate is a stable, semiconducting inorganic material known for its structural diversity and utility in advanced ceramic and optical technologies.
What is CePO4 used for?
What is the band gap of CePO4?
Is CePO4 a metal, semiconductor, or insulator?
Is CePO4 thermodynamically stable?
What is the crystal structure of CePO4?
What is the density of CePO4?
How many polymorphs of CePO4 are known?
How is CePO4 synthesized?
What elements does CePO4 contain?
Where does the data for CePO4 come from?
How It Compares
As a prominent representative of the rare-earth phosphate family, this compound is recognized for its exceptional thermodynamic stability and structural flexibility. It stands as a benchmark for the class, providing a reliable framework for studying the interplay between lanthanide coordination and anionic phosphate networks in semiconducting systems.
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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze CePO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →