Al1Pd2Zn1
Al1Pd2Zn1 is a semimetallic, metastable intermetallic alloy containing aluminum, palladium, and zinc that is studied for its potential catalytic properties.
About Al1Pd2Zn1
Al1Pd2Zn1 is a complex intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by a near-zero-gap electronic structure, it behaves as a semimetal, which is a critical feature for tuning surface reactivity in catalytic processes. Its structural complexity is evidenced by a high number of reported configurations within materials databases.
Despite its potential utility, this compound is identified as being above the thermodynamic hull, suggesting it is a metastable phase. Its existence and stability are subjects of interest for researchers investigating the synthesis of unconventional noble metal alloys that deviate from standard equilibrium compositions.
Key Properties
Cross-validated computational properties for Al1Pd2Zn1, 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 Al1Pd2Zn1, 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 | 0.08 | 1.9406 | -2.646 | 0.69 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Al1Pd2Zn1 is used.
Frequently Asked Questions
Common questions about Al1Pd2Zn1, answered from cross-validated data.
What is Al1Pd2Zn1?
Al1Pd2Zn1 is a semimetallic, metastable intermetallic alloy containing aluminum, palladium, and zinc that is studied for its potential catalytic properties.
What is Al1Pd2Zn1 used for?
What is the band gap of Al1Pd2Zn1?
Is Al1Pd2Zn1 a metal, semiconductor, or insulator?
Is Al1Pd2Zn1 thermodynamically stable?
What is the crystal structure of Al1Pd2Zn1?
What is the density of Al1Pd2Zn1?
How many polymorphs of Al1Pd2Zn1 are known?
What elements does Al1Pd2Zn1 contain?
Where does the data for Al1Pd2Zn1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the family of platinum-group alloys, Al1Pd2Zn1 occupies a niche position compared to more stable, binary intermetallics like BaPd or GeRu. While many members of this class exhibit robust thermodynamic stability, Al1Pd2Zn1 represents a more challenging, metastable architecture that likely requires specific kinetic control during synthesis to achieve phase purity.
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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