PtSnZr
PtSnZr is a stable, semiconducting intermetallic alloy composed of platinum, tin, and zirconium, utilized in advanced catalytic research.
About PtSnZr
PtSnZr is a distinct member of the platinum-group alloy catalyst family, characterized by its semiconducting electronic nature. Its presence on the thermodynamic convex hull indicates high stability, making it a robust candidate for specialized chemical processes where structural integrity is paramount.
This ternary intermetallic compound leverages the unique catalytic properties of platinum alongside tin and zirconium to modify surface reactivity. It is primarily investigated for its potential in heterogeneous catalysis, where its electronic structure can be tuned to optimize reaction pathways compared to pure noble metals.
Key Properties
Cross-validated computational properties for PtSnZr, 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 PtSnZr, 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 | 0.96 | 0.0000 | -34.162 | 10.35 |
| F-43m (No. 216) | — | — | — | — | — |
| — | — | — | — | — | 11.31 |
Applications
Where PtSnZr is used.
Frequently Asked Questions
Common questions about PtSnZr, answered from cross-validated data.
What is PtSnZr?
PtSnZr is a stable, semiconducting intermetallic alloy composed of platinum, tin, and zirconium, utilized in advanced catalytic research.
What is PtSnZr used for?
What is the band gap of PtSnZr?
Is PtSnZr a metal, semiconductor, or insulator?
Is PtSnZr thermodynamically stable?
What is the crystal structure of PtSnZr?
What is the density of PtSnZr?
How many polymorphs of PtSnZr are known?
What elements does PtSnZr contain?
Where does the data for PtSnZr come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike many platinum-group alloys such as As2Pt or Ga2Ru, which often exhibit metallic behavior, PtSnZr stands out due to its semiconducting character. While its siblings in the class frequently focus on high-conductivity applications, PtSnZr offers a different electronic profile that may provide enhanced selectivity in specific catalytic environments.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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