YZn
YZn is a stable metallic intermetallic compound formed from yttrium and zinc.
About YZn
YZn is a metallic intermetallic compound composed of yttrium and zinc. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within its binary system. Its metallic nature suggests high electrical and thermal conductivity, making it a subject of interest for fundamental solid-state physics studies.
The compound is characterized by significant structural diversity, with numerous reported arrangements documented across materials databases. This high degree of structural data richness highlights its importance as a model system for understanding alloying behavior and phase stability in rare-earth zinc systems.
Key Properties
Cross-validated computational properties for YZn, 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 YZn. 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 YZn, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -14.999 | 5.67 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -0.412 | — |
| — | — | 0.00 | 0.0003 | -0.363 | — |
| — | — | 0.00 | 0.0043 | -0.359 | — |
| — | — | 0.00 | 0.0118 | -0.352 | — |
| — | — | 0.00 | 0.0385 | -0.325 | — |
| — | — | 0.00 | 0.0731 | -0.290 | — |
| — | — | 0.00 | 0.0776 | -0.286 | — |
| — | — | 0.00 | 0.1152 | -0.248 | — |
| — | — | 0.00 | 0.1177 | -0.246 | — |
| — | — | 0.00 | 0.1280 | -0.235 | — |
| — | — | 0.00 | 0.1315 | -0.232 | — |
Applications
Where YZn is used.
Frequently Asked Questions
Common questions about YZn, answered from cross-validated data.
What is YZn?
YZn is a stable metallic intermetallic compound formed from yttrium and zinc.
What is YZn used for?
What is the band gap of YZn?
Is YZn a metal, semiconductor, or insulator?
Is YZn thermodynamically stable?
What is the crystal structure of YZn?
What is the density of YZn?
How many polymorphs of YZn are known?
What elements does YZn contain?
Where does the data for YZn come from?
How It Compares
As a stable binary intermetallic, YZn serves as a foundational reference point for understanding the interaction between rare-earth elements and transition metals. It exemplifies the structural complexity often found in these metallic systems, providing a benchmark for predicting phase formation and stability in similar binary alloys.
Data sources & attribution
- 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)
- 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)
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