Pt1Sn1Ti1
Pt1Sn1Ti1 is a stable, semiconducting ternary alloy composed of platinum, tin, and titanium used in advanced catalytic research.
About Pt1Sn1Ti1
Pt1Sn1Ti1 is a distinct member of the platinum-group alloy catalyst family, characterized by its semiconducting electronic structure. As a thermodynamically stable phase residing on the convex hull, it exhibits structural robustness that is highly desirable for long-term performance in catalytic environments. Its unique arrangement of platinum, tin, and titanium atoms provides a specific surface architecture that influences reactivity and chemical selectivity. This material is primarily investigated for its potential to facilitate complex surface reactions where traditional noble metal catalysts might lack the necessary electronic tuning. By leveraging the interplay between the transition metal and the post-transition metal components, this compound serves as a platform for developing more efficient and durable catalytic systems for industrial chemical transformations.
Key Properties
Cross-validated computational properties for Pt1Sn1Ti1, 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 Pt1Sn1Ti1, 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 | 0.79 | 0.0000 | -30.662 | 10.12 |
| F-43m (No. 216) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.57 |
Applications
Where Pt1Sn1Ti1 is used.
Frequently Asked Questions
Common questions about Pt1Sn1Ti1, answered from cross-validated data.
What is Pt1Sn1Ti1?
Pt1Sn1Ti1 is a stable, semiconducting ternary alloy composed of platinum, tin, and titanium used in advanced catalytic research.
What is Pt1Sn1Ti1 used for?
What is the band gap of Pt1Sn1Ti1?
Is Pt1Sn1Ti1 a metal, semiconductor, or insulator?
Is Pt1Sn1Ti1 thermodynamically stable?
What is the crystal structure of Pt1Sn1Ti1?
What is the density of Pt1Sn1Ti1?
How many polymorphs of Pt1Sn1Ti1 are known?
What elements does Pt1Sn1Ti1 contain?
Where does the data for Pt1Sn1Ti1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike many of the more metallic or highly conductive platinum-group compounds such as P3Ru or BaPd, Pt1Sn1Ti1 stands out due to its semiconducting nature. While siblings like As2Pt or IrSe2 often focus on specific chalcogenide or pnictide bonding motifs, this ternary alloy utilizes the structural stability of the platinum-tin-titanium system to offer a different electronic environment, making it a specialized candidate for catalytic processes requiring precise charge carrier control.
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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