CeY3
CeY3 is a metastable metallic compound consisting of cerium and yttrium atoms.
About CeY3
CeY3 is a metallic intermetallic compound composed of cerium and yttrium. As a metastable phase, it represents a complex structural arrangement that highlights the intricate phase behavior often found in rare-earth alloy systems.
Its metallic nature suggests potential utility in specialized electronic or magnetic applications where conductive rare-earth frameworks are required. The existence of multiple reported structures across various databases underscores its significance in fundamental materials science studies.
Key Properties
Cross-validated computational properties for CeY3, 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.
Reported Structures
Lowest-energy structures reported for CeY3, 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 | 0.0752 | -22.870 | 5.28 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0753 | -22.870 | 5.22 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0921 | -22.853 | 5.37 |
| P63/mmc (No. 194) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 5.22 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.28 |
| Pm-3m (No. 221) | Cubic | — | — | — | 5.22 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.94 |
| Pm-3m (No. 221) | Cubic | — | — | — | 5.21 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.96 |
Applications
Where CeY3 is used.
Frequently Asked Questions
Common questions about CeY3, answered from cross-validated data.
What is CeY3?
CeY3 is a metastable metallic compound consisting of cerium and yttrium atoms.
What is CeY3 used for?
What is the band gap of CeY3?
Is CeY3 a metal, semiconductor, or insulator?
Is CeY3 thermodynamically stable?
What is the crystal structure of CeY3?
What is the density of CeY3?
How many polymorphs of CeY3 are known?
What elements does CeY3 contain?
Where does the data for CeY3 come from?
How It Compares
As a unique intermetallic phase, CeY3 serves as a distinct example of rare-earth alloying behavior, demonstrating the structural diversity possible when combining cerium and yttrium in non-equilibrium states.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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