Ag1Pd1Zn2
Ag1Pd1Zn2 is a semimetallic platinum-group alloy catalyst primarily used in experimental materials science and catalytic research.
About Ag1Pd1Zn2
Ag1Pd1Zn2 is a complex intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by a near-zero-gap electronic structure, it functions as a semimetallic material that bridges the behavior of metals and semiconductors in catalytic environments. Its structural complexity is highlighted by a high number of reported configurations, reflecting significant interest in its potential for specialized chemical transformations. Despite its thermodynamic position above the hull, which suggests potential metastability, it remains a subject of focused investigation for its unique electronic properties. This compound is primarily explored in research settings where the precise tuning of electronic states is required to optimize reaction pathways in heterogeneous catalysis.
Key Properties
Cross-validated computational properties for Ag1Pd1Zn2, 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 Ag1Pd1Zn2, 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 | 1.4353 | -1.528 | 0.70 |
| Pm (No. 6) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
Applications
Where Ag1Pd1Zn2 is used.
Frequently Asked Questions
Common questions about Ag1Pd1Zn2, answered from cross-validated data.
What is Ag1Pd1Zn2?
Ag1Pd1Zn2 is a semimetallic platinum-group alloy catalyst primarily used in experimental materials science and catalytic research.
What is Ag1Pd1Zn2 used for?
What is the band gap of Ag1Pd1Zn2?
Is Ag1Pd1Zn2 a metal, semiconductor, or insulator?
Is Ag1Pd1Zn2 thermodynamically stable?
What is the crystal structure of Ag1Pd1Zn2?
What is the density of Ag1Pd1Zn2?
How many polymorphs of Ag1Pd1Zn2 are known?
What elements does Ag1Pd1Zn2 contain?
Where does the data for Ag1Pd1Zn2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Ag1Pd1Zn2 occupies a distinct niche compared to more stable, well-characterized members like BaPd or LaRh. While many of its siblings exhibit robust thermodynamic stability, Ag1Pd1Zn2 is notable for its structural diversity and its semimetallic nature, which offers a different electronic environment for surface reactions than the more traditional metallic or insulating phases found in the broader class.
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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