Ce
Cerium · Ce
Cerium is a metallic rare-earth element characterized by its high structural versatility and thermodynamic stability.
About Cerium
Cerium is a metallic chemical element that serves as a foundational material in materials science. It is recognized for its exceptional structural diversity, with numerous reported phases that highlight its complex behavior under varying conditions.
As a thermodynamically stable element, Cerium maintains a robust presence on the convex hull. Its metallic nature and unique electronic configuration make it a subject of extensive research for understanding phase transitions and alloying behavior in rare-earth systems.
Key Properties
Cross-validated computational properties for Cerium, aggregated across 5 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 Ce. 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 Ce, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | 0.052 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | 0.090 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | 0.000 | — |
| — | — | 0.00 | 0.0000 | 0.000 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | 0.000 | — |
| Im-3m (No. 229) | cubic | 0.00 | 0.0000 | 0.240 | — |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0000 | 0.041 | — |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0000 | 0.041 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | 0.000 | — |
| Im-3m (No. 229) | cubic | 0.00 | 0.0000 | 0.240 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -30.841 | 9.12 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | 0.052 | — |
Applications
Where Cerium is used.
Frequently Asked Questions
Common questions about Cerium, answered from cross-validated data.
What is Ce?
Cerium is a metallic rare-earth element characterized by its high structural versatility and thermodynamic stability.
What is Ce used for?
What is the band gap of Ce?
Is Ce a metal, semiconductor, or insulator?
Is Ce thermodynamically stable?
What is the crystal structure of Ce?
How many polymorphs of Ce are known?
What elements does Ce contain?
Where does the data for Ce come from?
How It Compares
As a standalone elemental metal, Cerium serves as a critical reference point for the study of lanthanide behavior. Its structural complexity and stability provide the baseline against which other rare-earth alloys and intermetallic compounds are measured.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
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