Pd2Y1Zn1
Pd2Y1Zn1 is a metastable, semimetallic intermetallic alloy composed of palladium, yttrium, and zinc used in materials science research.
About Pd2Y1Zn1
Pd2Y1Zn1 is a complex intermetallic compound belonging to the platinum-group alloy class. Characterized by a near-zero-gap electronic structure, it functions as a semimetallic material that bridges the gap between traditional metallic conductors and semiconductors.
As a metastable phase, this compound represents a unique configuration within its structural family. Its composition, which integrates palladium, yttrium, and zinc, makes it a subject of interest for researchers investigating the catalytic potential of multi-elemental transition metal alloys.
Key Properties
Cross-validated computational properties for Pd2Y1Zn1, 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 Pd2Y1Zn1, 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 | 0.0385 | -5.245 | 8.32 |
| Immm (No. 71) | orthorhombic | 0.01 | 1.8902 | -3.393 | 0.62 |
| Imm2 (No. 44) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where Pd2Y1Zn1 is used.
Frequently Asked Questions
Common questions about Pd2Y1Zn1, answered from cross-validated data.
What is Pd2Y1Zn1?
Pd2Y1Zn1 is a metastable, semimetallic intermetallic alloy composed of palladium, yttrium, and zinc used in materials science research.
What is Pd2Y1Zn1 used for?
What is the band gap of Pd2Y1Zn1?
Is Pd2Y1Zn1 a metal, semiconductor, or insulator?
Is Pd2Y1Zn1 thermodynamically stable?
What is the crystal structure of Pd2Y1Zn1?
What is the density of Pd2Y1Zn1?
How many polymorphs of Pd2Y1Zn1 are known?
What elements does Pd2Y1Zn1 contain?
Where does the data for Pd2Y1Zn1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, Pd2Y1Zn1 occupies a distinct niche compared to more stable, binary counterparts like BaPd or GeRu. While many members of this class are explored for their robust structural integrity, Pd2Y1Zn1 is notable for its metastable nature, providing a different pathway for catalytic activity and electronic tuning than the more conventional phases 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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