CePO4
Cerium phosphate · Cerium(III) phosphate
Cerium phosphate is a rare-earth mineral compound that occurs naturally as the mineral monazite. It is primarily utilized for its luminescent properties and its stability in high-temperature environments.
CeOP
Overview
Key Properties
Cross-validated computational properties for Cerium phosphate, aggregated across 4 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.
0.10 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
24
4 databases, 6 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.00 | 0.0000 | -8.623 | 5.19 |
| 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 |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.0591 | -8.564 | 4.76 |
| P-6 (No. 174) | hexagonal | 0.00 | 0.3920 | -7.206 | 4.45 |
| P6422 (No. 181) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 5.34 |
| P21/c (No. 14) | Monoclinic | — | — | — | 5.25 |
| P6222 (No. 180) | — | — | — | — | — |
| I41/amd (No. 141) | Tetragonal | — | — | — | 4.76 |
| P21/c (No. 14) | Monoclinic | — | — | — | 5.06 |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting CePO4.
Sol-Gel
Procedure available · ceder_solid_state
Uses
Applications
Where Cerium phosphate is used.
Phosphor materials for lightingCatalytic convertersNuclear waste immobilizationOptical materials
Reference
Frequently Asked Questions
Common questions about Cerium phosphate, answered from cross-validated data.
What is CePO4?
Cerium phosphate is a rare-earth mineral compound that occurs naturally as the mineral monazite. It is primarily utilized for its luminescent properties and its stability in high-temperature environments.
More questions
What is CePO4 used for?
Cerium phosphate (CePO4) is used in phosphor materials for lighting, catalytic converters, nuclear waste immobilization, and optical materials.
What is the band gap of CePO4?
Cerium phosphate (CePO4) has a DFT-computed band gap of 0.10 eV across 24 reported structures.
Is CePO4 a metal, semiconductor, or insulator?
With a band gap up to 0.10 eV it is a semiconductor.
Is CePO4 thermodynamically stable?
Yes — Cerium phosphate (CePO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of CePO4?
The lowest-energy reported polymorph of Cerium phosphate (CePO4) is monoclinic symmetry, space group P21/c (No. 14).
What is the density of CePO4?
The computed density of the ground-state structure of Cerium phosphate (CePO4) is 5.19 g/cm³.
How many polymorphs of CePO4 are known?
24 structures of CePO4 are reported across 4 databases, spanning 6 distinct space groups.
How is CePO4 synthesized?
Literature-reported routes for CePO4 include sol-gel.
What elements does CePO4 contain?
Cerium phosphate (CePO4) contains Ce, O, and P (3 elements).
Where does the data for CePO4 come from?
CePO4 data is cross-referenced from materials_project, jarvis, mpaloe, cod.
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.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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