Cu1Pd2Tl1
Cu1Pd2Tl1 is a semiconducting ternary alloy composed of copper, palladium, and thallium, primarily studied for its complex structural properties.
About Cu1Pd2Tl1
Cu1Pd2Tl1 is a complex ternary alloy categorized within the platinum-group metal systems. Characterized by semiconducting electronic behavior, this compound represents a unique intersection of transition metals and post-transition elements, offering distinct electronic properties for specialized catalytic environments. Despite its existence in multiple structural configurations, the compound is identified as thermodynamically unstable relative to its constituent elements. This metastability suggests that while it is a subject of significant structural investigation, it likely requires specific synthesis conditions to maintain its phase integrity.
Key Properties
Cross-validated computational properties for Cu1Pd2Tl1, 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 Cu1Pd2Tl1, 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 | 0.46 | 1.8095 | -25.868 | 0.88 |
| P4mm (No. 99) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
Applications
Where Cu1Pd2Tl1 is used.
Frequently Asked Questions
Common questions about Cu1Pd2Tl1, answered from cross-validated data.
What is Cu1Pd2Tl1?
Cu1Pd2Tl1 is a semiconducting ternary alloy composed of copper, palladium, and thallium, primarily studied for its complex structural properties.
What is Cu1Pd2Tl1 used for?
What is the band gap of Cu1Pd2Tl1?
Is Cu1Pd2Tl1 a metal, semiconductor, or insulator?
Is Cu1Pd2Tl1 thermodynamically stable?
What is the crystal structure of Cu1Pd2Tl1?
What is the density of Cu1Pd2Tl1?
How many polymorphs of Cu1Pd2Tl1 are known?
What elements does Cu1Pd2Tl1 contain?
Where does the data for Cu1Pd2Tl1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader family of platinum-group alloy catalysts, which includes stable phases like BaPd and GeRu, Cu1Pd2Tl1 stands out as a more complex and less thermodynamically robust member. While many of its siblings are optimized for structural stability in high-performance applications, this compound is primarily studied for its structural diversity and the influence of thallium on its electronic character.
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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