Ag1Pd2Zn1
Ag1Pd2Zn1 is a metastable, semiconducting ternary alloy composed of silver, palladium, and zinc, primarily utilized in advanced catalytic research.
About Ag1Pd2Zn1
Ag1Pd2Zn1 is a specialized ternary alloy within the platinum-group catalyst family. Characterized by its semiconducting electronic nature, this material represents a distinct structural arrangement that deviates from standard metallic behavior, offering unique pathways for surface-mediated reactions.
As a metastable phase, this compound is of significant interest for researchers investigating catalytic activity in complex alloy systems. Its structural configuration provides a platform for studying how the integration of silver and zinc into a palladium-rich matrix influences chemical reactivity and selectivity.
Key Properties
Cross-validated computational properties for Ag1Pd2Zn1, 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 Ag1Pd2Zn1, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0422 | -3.920 | 10.23 |
| Immm (No. 71) | orthorhombic | 0.17 | 2.0141 | -1.948 | 0.77 |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
Applications
Where Ag1Pd2Zn1 is used.
Frequently Asked Questions
Common questions about Ag1Pd2Zn1, answered from cross-validated data.
What is Ag1Pd2Zn1?
Ag1Pd2Zn1 is a metastable, semiconducting ternary alloy composed of silver, palladium, and zinc, primarily utilized in advanced catalytic research.
What is Ag1Pd2Zn1 used for?
What is the band gap of Ag1Pd2Zn1?
Is Ag1Pd2Zn1 a metal, semiconductor, or insulator?
Is Ag1Pd2Zn1 thermodynamically stable?
What is the crystal structure of Ag1Pd2Zn1?
What is the density of Ag1Pd2Zn1?
How many polymorphs of Ag1Pd2Zn1 are known?
What elements does Ag1Pd2Zn1 contain?
Where does the data for Ag1Pd2Zn1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, Ag1Pd2Zn1 occupies a niche position compared to more conventional phases like BaPd or LaRh. While many of its class members exhibit metallic characteristics, Ag1Pd2Zn1 is notable for its semiconducting nature, which differentiates its electronic interaction profile from the more common conductive intermetallics found 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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