CeZn3
CeZn3 is a stable metallic intermetallic compound formed from cerium and zinc.
About CeZn3
CeZn3 is a binary intermetallic compound composed of cerium and zinc. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions. The material exhibits distinct metallic character, characterized by the absence of a band gap. Its electronic behavior is typical of lanthanide-based intermetallics, making it a subject of interest for fundamental studies in solid-state physics and metallurgy.
Key Properties
Cross-validated computational properties for CeZn3, 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 CeZn3. 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 CeZn3, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0000 | -0.342 | — |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -2.722 | 7.52 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0011 | -2.721 | 7.23 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0041 | -14.720 | 7.21 |
| — | — | 0.00 | 0.0069 | -0.324 | — |
| — | — | 0.00 | 0.0071 | -0.324 | — |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0093 | -0.332 | — |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0305 | -0.311 | — |
| — | — | 0.00 | 0.0325 | -0.299 | — |
| — | — | 0.00 | 0.0430 | -0.288 | — |
| — | — | 0.00 | 0.0596 | -0.272 | — |
| — | — | 0.00 | 0.0936 | -0.238 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting CeZn3.
Applications
Where CeZn3 is used.
Frequently Asked Questions
Common questions about CeZn3, answered from cross-validated data.
What is CeZn3?
CeZn3 is a stable metallic intermetallic compound formed from cerium and zinc.
What is CeZn3 used for?
What is the band gap of CeZn3?
Is CeZn3 a metal, semiconductor, or insulator?
Is CeZn3 thermodynamically stable?
What is the crystal structure of CeZn3?
What is the density of CeZn3?
How many polymorphs of CeZn3 are known?
How is CeZn3 synthesized?
What elements does CeZn3 contain?
Where does the data for CeZn3 come from?
How It Compares
As a stable intermetallic phase, CeZn3 serves as a representative example of cerium-zinc binary systems. It occupies a well-defined position in the phase space of its constituent elements, reflecting the strong chemical affinity between the rare-earth metal and the transition metal.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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