Hg1Pd1Y2
Hg1Pd1Y2 is a semimetallic ternary alloy containing mercury, palladium, and yttrium, studied for its unique structural properties in the field of catalyst materials.
About Hg1Pd1Y2
Hg1Pd1Y2 is a complex intermetallic compound categorized within the platinum-group alloy catalyst class. Characterized by a near-zero-gap electronic structure, this material exhibits semimetallic behavior that is central to its potential utility in specialized catalytic processes. Its diverse structural configurations, observed across multiple reported instances, highlight the intricate bonding environment of palladium and mercury within a yttrium-rich framework. Being positioned above the thermodynamic hull, this compound is considered metastable, which presents unique challenges and opportunities for synthesis and stabilization in experimental settings. Its existence as a data-rich subject in materials databases underscores its importance for researchers investigating the fundamental properties of ternary transition metal alloys.
Key Properties
Cross-validated computational properties for Hg1Pd1Y2, 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 Hg1Pd1Y2, 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 | 0.03 | 2.4127 | -2.905 | 0.67 |
| Imm2 (No. 44) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where Hg1Pd1Y2 is used.
Frequently Asked Questions
Common questions about Hg1Pd1Y2, answered from cross-validated data.
What is Hg1Pd1Y2?
Hg1Pd1Y2 is a semimetallic ternary alloy containing mercury, palladium, and yttrium, studied for its unique structural properties in the field of catalyst materials.
What is Hg1Pd1Y2 used for?
What is the band gap of Hg1Pd1Y2?
Is Hg1Pd1Y2 a metal, semiconductor, or insulator?
Is Hg1Pd1Y2 thermodynamically stable?
What is the crystal structure of Hg1Pd1Y2?
What is the density of Hg1Pd1Y2?
How many polymorphs of Hg1Pd1Y2 are known?
What elements does Hg1Pd1Y2 contain?
Where does the data for Hg1Pd1Y2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloy catalysts, Hg1Pd1Y2 represents a more complex ternary arrangement compared to binary counterparts like BaPd or LaRh. While many members of this class are optimized for specific surface reactivity, the semimetallic nature of this mercury-containing alloy distinguishes it from the more traditional transition metal-metalloid systems such as As2Pt or As2Ir, offering a different electronic landscape for potential catalytic applications.
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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