Ce2O3
Cerium(III) oxide · Dicerium trioxide, Cerous oxide
Cerium(III) oxide is a rare earth oxide that serves as a key component in various catalytic and optical processes. It is frequently utilized for its ability to participate in redox reactions and its effectiveness in surface chemistry applications.
CeO
Overview
Key Properties
Cross-validated computational properties for Cerium(III) oxide, aggregated across 6 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.
Metallic / not reported
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)
5 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
40
6 databases, 13 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ce2O3, 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. |
|---|---|---|---|---|---|
| Ia-3 (No. 206) | cubic | 0.00 | 0.0000 | -9.112 | 6.22 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0417 | -9.070 | 6.90 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0793 | -9.033 | 7.12 |
| P-62m (No. 189) | hexagonal | 0.00 | 0.2015 | -8.910 | 5.15 |
| P321 (No. 150) | trigonal | 0.00 | 0.7868 | -8.325 | 3.51 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 7.07 |
| Pm (No. 6) | Monoclinic | — | — | — | 7.70 |
| C2 (No. 5) | Monoclinic | — | — | — | 6.98 |
| C2 (No. 5) | Monoclinic | — | — | — | 6.64 |
| P6/mmm (No. 191) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P6/mmm (No. 191) | — | — | — | — | — |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting Ce2O3.
Sol-Gel
Procedure available · ceder_solid_state
Uses
Applications
Where Cerium(III) oxide is used.
Automotive exhaust catalystsGlass polishing agentsCeramic pigmentsOxygen storage materials
Reference
Frequently Asked Questions
Common questions about Cerium(III) oxide, answered from cross-validated data.
What is Ce2O3?
Cerium(III) oxide is a rare earth oxide that serves as a key component in various catalytic and optical processes. It is frequently utilized for its ability to participate in redox reactions and its effectiveness in surface chemistry applications.
More questions
What is Ce2O3 used for?
Cerium(III) oxide (Ce2O3) is used in automotive exhaust catalysts, glass polishing agents, ceramic pigments, and oxygen storage materials.
What is the band gap of Ce2O3?
Cerium(III) oxide (Ce2O3) is computed to be metallic (no band gap) in the reported DFT structures.
Is Ce2O3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Ce2O3 thermodynamically stable?
Yes — Cerium(III) oxide (Ce2O3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ce2O3?
The lowest-energy reported polymorph of Cerium(III) oxide (Ce2O3) is cubic symmetry, space group Ia-3 (No. 206).
What is the density of Ce2O3?
The computed density of the ground-state structure of Cerium(III) oxide (Ce2O3) is 6.22 g/cm³.
How many polymorphs of Ce2O3 are known?
40 structures of Ce2O3 are reported across 6 databases, spanning 13 distinct space groups.
How is Ce2O3 synthesized?
Literature-reported routes for Ce2O3 include sol-gel.
What elements does Ce2O3 contain?
Cerium(III) oxide (Ce2O3) contains Ce and O (2 elements).
Where does the data for Ce2O3 come from?
Ce2O3 data is cross-referenced from materials_project, mpaloe, aflow, jarvis, nomad, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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