Pt1Ta1Tl1
Pt1Ta1Tl1 is a semiconducting ternary platinum-group alloy that exists as a metastable phase of interest in catalytic materials science.
About Pt1Ta1Tl1
Pt1Ta1Tl1 is a complex ternary alloy categorized within the platinum-group catalyst class. Characterized by its semiconducting electronic behavior, this material represents a unique intersection of transition metals and post-transition elements, offering distinct pathways for catalytic research and surface science investigations.
Despite its existence in multiple structural configurations, the compound is identified as being above the thermodynamic hull, suggesting it is a metastable phase. Its study is vital for understanding the limits of phase stability and the potential for tailoring electronic properties in high-performance alloy systems.
Key Properties
Cross-validated computational properties for Pt1Ta1Tl1, 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 Pt1Ta1Tl1, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.97 | 0.3365 | -6.805 | 15.23 |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
Applications
Where Pt1Ta1Tl1 is used.
Frequently Asked Questions
Common questions about Pt1Ta1Tl1, answered from cross-validated data.
What is Pt1Ta1Tl1?
Pt1Ta1Tl1 is a semiconducting ternary platinum-group alloy that exists as a metastable phase of interest in catalytic materials science.
What is Pt1Ta1Tl1 used for?
What is the band gap of Pt1Ta1Tl1?
Is Pt1Ta1Tl1 a metal, semiconductor, or insulator?
Is Pt1Ta1Tl1 thermodynamically stable?
What is the crystal structure of Pt1Ta1Tl1?
What is the density of Pt1Ta1Tl1?
How many polymorphs of Pt1Ta1Tl1 are known?
What elements does Pt1Ta1Tl1 contain?
Where does the data for Pt1Ta1Tl1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Pt1Ta1Tl1 occupies a specialized niche compared to more stable or common phases like As2Pt or GeRu. While many of its class members are characterized by high thermodynamic stability, Pt1Ta1Tl1 stands out as a metastable semiconducting variant, highlighting the structural diversity possible when incorporating heavy elements like thallium into platinum-based frameworks.
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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