LaY
LaY is a metallic binary intermetallic compound formed from lanthanum and yttrium that is considered stable enough for experimental synthesis.
About LaY
LaY is a metallic intermetallic compound composed of lanthanum and yttrium. Its electronic character is defined by its metallic nature, lacking a band gap, which suggests high electrical conductivity typical of rare-earth metal alloys. The compound is considered thermodynamically stable, positioning it as a viable candidate for experimental synthesis and structural analysis. With numerous reported structural configurations across multiple databases, it serves as a significant subject for understanding phase stability in lanthanide-based systems. Its potential utility lies in the exploration of alloying behaviors and the development of specialized metallic materials where the unique properties of lanthanum and yttrium are required for advanced metallurgical applications.
Key Properties
Cross-validated computational properties for LaY, 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 LaY. 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 LaY, 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. |
|---|---|---|---|---|---|
| R3m (No. 160) | trigonal | 0.00 | 0.0079 | -25.021 | 5.29 |
| R3m (No. 160) | trigonal | 0.00 | 0.0597 | -24.969 | 5.37 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0735 | -24.956 | 5.33 |
| No. 0 | unknown | — | — | — | 5.45 |
| No. 0 | unknown | — | — | — | 5.41 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.35 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.31 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.84 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.43 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.34 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.17 |
Applications
Where LaY is used.
Frequently Asked Questions
Common questions about LaY, answered from cross-validated data.
What is LaY?
LaY is a metallic binary intermetallic compound formed from lanthanum and yttrium that is considered stable enough for experimental synthesis.
What is LaY used for?
What is the band gap of LaY?
Is LaY a metal, semiconductor, or insulator?
Is LaY thermodynamically stable?
What is the crystal structure of LaY?
What is the density of LaY?
How many polymorphs of LaY are known?
What elements does LaY contain?
Where does the data for LaY come from?
How It Compares
As an intermetallic compound, LaY occupies a unique space in materials science by combining two highly reactive rare-earth elements into a stable, metallic lattice that remains a point of interest for fundamental structural studies.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- 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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