CeO
CeO is a thermodynamically stable metallic compound formed from cerium and oxygen that is highly represented in structural databases.
About CeO
CeO is a metallic compound consisting of cerium and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a significant structural arrangement within the cerium-oxygen system. The material exhibits metallic electronic character, distinguishing it from the more common insulating or semiconducting oxides typically associated with rare-earth elements.
Due to its structural complexity, this compound has been the subject of extensive investigation, with numerous reported structures documented across various materials databases. Its stability and unique electronic properties make it a compelling subject for researchers exploring the fundamental limits of cerium-based binary systems.
Key Properties
Cross-validated computational properties for CeO, 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.
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 CeO. 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 CeO, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -8.675 | 8.47 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.33 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.59 |
| P-1 (No. 2) | Triclinic | — | — | — | 12.14 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.65 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.13 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.36 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 7.48 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 6.81 |
| Fm-3m (No. 225) | Cubic | — | — | — | 8.37 |
| Fm-3m (No. 225) | Cubic | — | — | — | 8.47 |
Applications
Where CeO is used.
Frequently Asked Questions
Common questions about CeO, answered from cross-validated data.
What is CeO?
CeO is a thermodynamically stable metallic compound formed from cerium and oxygen that is highly represented in structural databases.
What is CeO used for?
What is the band gap of CeO?
Is CeO a metal, semiconductor, or insulator?
Is CeO thermodynamically stable?
What is the crystal structure of CeO?
What is the density of CeO?
How many polymorphs of CeO are known?
What elements does CeO contain?
Where does the data for CeO come from?
How It Compares
As a thermodynamically stable metallic phase, CeO occupies a distinct position in the landscape of cerium-oxygen compounds, providing a critical reference point for understanding the phase stability and electronic behavior of rare-earth oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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