Pd2Tl1Y1
Pd2Tl1Y1 is a semiconducting ternary alloy composed of palladium, thallium, and yttrium that is primarily studied for its structural properties in catalytic research.
About Pd2Tl1Y1
Pd2Tl1Y1 is a complex ternary alloy belonging to the platinum-group catalyst family. Characterized by its semiconducting electronic structure, this material represents a specialized composition within transition metal-based intermetallics, offering distinct bonding environments for potential catalytic surface interactions.
While it is a subject of significant structural investigation with numerous reported configurations, its position above the thermodynamic hull suggests it is a metastable phase. This metastability makes it an intriguing candidate for fundamental studies into how structural complexity influences the performance of platinum-group alloy catalysts.
Key Properties
Cross-validated computational properties for Pd2Tl1Y1, aggregated across 3 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 Pd2Tl1Y1, 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 | 0.14 | 1.9249 | -28.642 | 0.83 |
| Cmmm (No. 65) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where Pd2Tl1Y1 is used.
Frequently Asked Questions
Common questions about Pd2Tl1Y1, answered from cross-validated data.
What is Pd2Tl1Y1?
Pd2Tl1Y1 is a semiconducting ternary alloy composed of palladium, thallium, and yttrium that is primarily studied for its structural properties in catalytic research.
What is Pd2Tl1Y1 used for?
What is the band gap of Pd2Tl1Y1?
Is Pd2Tl1Y1 a metal, semiconductor, or insulator?
Is Pd2Tl1Y1 thermodynamically stable?
What is the crystal structure of Pd2Tl1Y1?
What is the density of Pd2Tl1Y1?
How many polymorphs of Pd2Tl1Y1 are known?
What elements does Pd2Tl1Y1 contain?
Where does the data for Pd2Tl1Y1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, Pd2Tl1Y1 stands out for its ternary composition compared to binary counterparts like BaPd or GeRu. While many members of this class, such as As2Pt or As2Ir, are optimized for specific catalytic pathways, Pd2Tl1Y1 provides a more complex structural framework that challenges standard binary alloy design principles.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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