CeN2
CeN2 is a metastable semiconducting compound containing cerium and nitrogen that is primarily studied for its unique structural and electronic characteristics.
About CeN2
CeN2 is a semiconducting binary compound composed of cerium and nitrogen. As a metastable phase, it represents a unique configuration within the cerium-nitrogen chemical space, offering distinct electronic properties that differ from the more common stoichiometric nitrides.
Its existence as a metastable material makes it a subject of significant interest for fundamental materials science research. Understanding the structural landscape of this compound helps researchers map the stability limits of rare-earth nitrides and explore potential pathways for synthesis.
Key Properties
Cross-validated computational properties for CeN2, aggregated across 3 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 CeN2. 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 CeN2, 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 | 0.0340 | -0.840 | — |
| Cm (No. 8) | monoclinic | 0.55 | 0.0365 | -17.494 | 5.71 |
| — | — | 0.00 | 1.9686 | 1.094 | — |
| — | — | 0.00 | 1.9869 | 1.113 | — |
| P1 (No. 1) | triclinic | — | — | — | 3.98 |
| P1 (No. 1) | triclinic | — | — | — | 5.82 |
| P1 (No. 1) | triclinic | — | — | — | 3.52 |
| P1 (No. 1) | triclinic | — | — | — | 5.17 |
| P1 (No. 1) | triclinic | — | — | — | 4.30 |
| P1 (No. 1) | triclinic | — | — | — | 6.06 |
| P1 (No. 1) | triclinic | — | — | — | 4.27 |
| P1 (No. 1) | triclinic | — | — | — | 4.15 |
Frequently Asked Questions
Common questions about CeN2, answered from cross-validated data.
What is CeN2?
CeN2 is a metastable semiconducting compound containing cerium and nitrogen that is primarily studied for its unique structural and electronic characteristics.
What is the band gap of CeN2?
Is CeN2 a metal, semiconductor, or insulator?
Is CeN2 thermodynamically stable?
What is the crystal structure of CeN2?
What is the density of CeN2?
How many polymorphs of CeN2 are known?
What elements does CeN2 contain?
Where does the data for CeN2 come from?
How It Compares
As a metastable semiconducting phase, CeN2 occupies a specialized niche in the study of cerium-based compounds, serving as a critical data point for understanding the complex phase behavior of rare-earth nitrogen systems.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze CeN2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →