Pd1Y1Zn2
Pd1Y1Zn2 is a semiconducting ternary alloy containing palladium, yttrium, and zinc that is primarily studied for its potential catalytic properties.
About Pd1Y1Zn2
Pd1Y1Zn2 is a complex ternary alloy categorized within the platinum-group metal catalyst class. Characterized by its semiconducting electronic behavior, this material represents a unique intersection of transition metal, rare-earth, and post-transition metal chemistry.
While the compound exhibits a diverse range of reported structural configurations, its thermodynamic position above the hull suggests it may be metastable under standard conditions. Its study contributes to the broader understanding of how palladium-based intermetallics can be tuned for specific catalytic activities.
Key Properties
Cross-validated computational properties for Pd1Y1Zn2, aggregated across 2 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 Pd1Y1Zn2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.10 | 2.2795 | -1.865 | 0.50 |
| R3m (No. 160) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Pd1Y1Zn2 is used.
Frequently Asked Questions
Common questions about Pd1Y1Zn2, answered from cross-validated data.
What is Pd1Y1Zn2?
Pd1Y1Zn2 is a semiconducting ternary alloy containing palladium, yttrium, and zinc that is primarily studied for its potential catalytic properties.
What is Pd1Y1Zn2 used for?
What is the band gap of Pd1Y1Zn2?
Is Pd1Y1Zn2 a metal, semiconductor, or insulator?
Is Pd1Y1Zn2 thermodynamically stable?
What is the crystal structure of Pd1Y1Zn2?
What is the density of Pd1Y1Zn2?
How many polymorphs of Pd1Y1Zn2 are known?
What elements does Pd1Y1Zn2 contain?
Where does the data for Pd1Y1Zn2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable or common platinum-group alloys such as BaPd or LaRh, Pd1Y1Zn2 occupies a more precarious thermodynamic state. While its siblings often serve as robust benchmarks in catalytic studies, this compound is notable for its structural diversity, reflecting the intricate phase space inherent to ternary palladium-yttrium-zinc systems.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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