CeSe
CeSe is a stable, metallic binary compound consisting of cerium and selenium that is frequently investigated for its structural and electronic properties.
About CeSe
CeSe is a stable binary compound formed from cerium and selenium. It exhibits metallic electronic characteristics, which distinguishes it from many insulating or semiconducting rare-earth chalcogenides. Its position on the convex hull indicates high thermodynamic stability, making it a robust candidate for fundamental studies in solid-state chemistry. Given its rich structural data, this compound serves as a significant reference point for understanding the bonding interactions between lanthanides and chalcogens. It is primarily utilized in academic research to explore the electronic behavior of metallic rare-earth systems and to map phase stability across diverse structural configurations.
Key Properties
Cross-validated computational properties for CeSe, 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 CeSe. 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 CeSe, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0000 | -1.850 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -6.765 | 6.60 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -1.872 | — |
| — | — | 0.00 | 0.0001 | -1.849 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0004 | -1.872 | — |
| — | — | 0.00 | 0.1103 | -1.739 | — |
| — | — | 0.00 | 0.1926 | -1.657 | — |
| — | — | 0.00 | 0.1929 | -1.657 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.2443 | -1.628 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.2457 | -1.626 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.2564 | -6.509 | 7.50 |
| — | — | 0.00 | 0.4758 | -1.374 | — |
Applications
Where CeSe is used.
Frequently Asked Questions
Common questions about CeSe, answered from cross-validated data.
What is CeSe?
CeSe is a stable, metallic binary compound consisting of cerium and selenium that is frequently investigated for its structural and electronic properties.
What is CeSe used for?
What is the band gap of CeSe?
Is CeSe a metal, semiconductor, or insulator?
Is CeSe thermodynamically stable?
What is the crystal structure of CeSe?
What is the density of CeSe?
How many polymorphs of CeSe are known?
What elements does CeSe contain?
Where does the data for CeSe come from?
How It Compares
As a thermodynamically stable metallic phase, CeSe represents a foundational example of rare-earth selenide chemistry. While many related materials in this class exhibit varying degrees of ionic or covalent character, CeSe is notable for its metallic nature, providing a distinct baseline for investigating how cerium's f-electrons influence the overall electronic architecture of the lattice.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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