Pd1Si1Y2
Pd1Si1Y2 is a semimetallic ternary platinum-group alloy that exists as a metastable phase within complex catalytic material systems.
About Pd1Si1Y2
Pd1Si1Y2 is a complex ternary intermetallic compound classified within the platinum-group alloy catalyst family. Characterized by its near-zero-gap electronic structure, this material exhibits semimetallic behavior that is of significant interest for fundamental studies in solid-state physics and catalytic surface science. While it possesses a rich structural landscape with numerous reported configurations, it is identified as being thermodynamically unstable relative to its decomposition products. This metastable nature makes it a compelling subject for researchers investigating phase formation and kinetic stabilization in multicomponent metallic systems.
Key Properties
Cross-validated computational properties for Pd1Si1Y2, 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 Pd1Si1Y2, 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 | 0.03 | 2.6725 | -4.076 | 0.49 |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Pd1Si1Y2 is used.
Frequently Asked Questions
Common questions about Pd1Si1Y2, answered from cross-validated data.
What is Pd1Si1Y2?
Pd1Si1Y2 is a semimetallic ternary platinum-group alloy that exists as a metastable phase within complex catalytic material systems.
What is Pd1Si1Y2 used for?
What is the band gap of Pd1Si1Y2?
Is Pd1Si1Y2 a metal, semiconductor, or insulator?
Is Pd1Si1Y2 thermodynamically stable?
What is the crystal structure of Pd1Si1Y2?
What is the density of Pd1Si1Y2?
How many polymorphs of Pd1Si1Y2 are known?
What elements does Pd1Si1Y2 contain?
Where does the data for Pd1Si1Y2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloys, Pd1Si1Y2 stands out due to its unique ternary composition compared to binary counterparts like BaPd or GeRu. While many members of this class are explored for their robust catalytic properties, Pd1Si1Y2 is distinguished by its metastable status above the hull, contrasting with more thermodynamically stable binary phases in the group.
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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