Ag1Pd2Y1
Ag1Pd2Y1 is a semimetallic ternary alloy composed of silver, palladium, and yttrium, studied primarily for its potential role in catalytic applications.
About Ag1Pd2Y1
Ag1Pd2Y1 is a specialized ternary alloy within the platinum-group catalyst family. Characterized by a near-zero-gap electronic structure, this material exhibits semimetallic behavior that influences its potential for facilitating complex chemical transformations. Its composition leverages the catalytic potency of palladium combined with the structural modifiers silver and yttrium.
While this compound is currently identified as being above the thermodynamic hull, its existence in multiple structural configurations highlights the complexity of phase space in ternary platinum-group alloys. It remains a subject of interest for researchers investigating metastable phases that might offer unique surface reactivity compared to more stable, bulk-equilibrium intermetallics.
Key Properties
Cross-validated computational properties for Ag1Pd2Y1, 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 Ag1Pd2Y1, 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 | 0.09 | 2.2310 | -20.352 | 0.69 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
Applications
Where Ag1Pd2Y1 is used.
Frequently Asked Questions
Common questions about Ag1Pd2Y1, answered from cross-validated data.
What is Ag1Pd2Y1?
Ag1Pd2Y1 is a semimetallic ternary alloy composed of silver, palladium, and yttrium, studied primarily for its potential role in catalytic applications.
What is Ag1Pd2Y1 used for?
What is the band gap of Ag1Pd2Y1?
Is Ag1Pd2Y1 a metal, semiconductor, or insulator?
Is Ag1Pd2Y1 thermodynamically stable?
What is the crystal structure of Ag1Pd2Y1?
What is the density of Ag1Pd2Y1?
How many polymorphs of Ag1Pd2Y1 are known?
What elements does Ag1Pd2Y1 contain?
Where does the data for Ag1Pd2Y1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloys, Ag1Pd2Y1 occupies a niche position compared to more robust, stable phases like GeRu or IrSe2. Unlike those compounds which often form highly ordered, thermodynamically favored lattices, Ag1Pd2Y1 represents a more transient structural arrangement, reflecting the diverse and often challenging synthesis landscape typical of palladium-based ternary 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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