Pt2Y1Zn1
Pt2Y1Zn1 is a semimetallic platinum-group alloy that serves as a subject for research into metastable catalytic materials.
About Pt2Y1Zn1
Pt2Y1Zn1 is a complex intermetallic compound belonging to the class of platinum-group alloy catalysts. Characterized by a near-zero-gap electronic structure, it exhibits semimetallic behavior that is of significant interest for fundamental studies in materials science and catalysis. Its structural diversity is highlighted by numerous reported configurations within crystallographic databases. Despite its intricate structure, the compound is categorized as being above the thermodynamic hull, suggesting it may be metastable under standard conditions. This inherent instability makes it a compelling subject for researchers investigating phase formation and the stabilization of catalytic surfaces in complex alloy systems.
Key Properties
Cross-validated computational properties for Pt2Y1Zn1, 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 Pt2Y1Zn1, 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 | 0.01 | 1.9578 | -3.920 | 0.93 |
| Pmm2 (No. 25) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Pt2Y1Zn1 is used.
Frequently Asked Questions
Common questions about Pt2Y1Zn1, answered from cross-validated data.
What is Pt2Y1Zn1?
Pt2Y1Zn1 is a semimetallic platinum-group alloy that serves as a subject for research into metastable catalytic materials.
What is Pt2Y1Zn1 used for?
What is the band gap of Pt2Y1Zn1?
Is Pt2Y1Zn1 a metal, semiconductor, or insulator?
Is Pt2Y1Zn1 thermodynamically stable?
What is the crystal structure of Pt2Y1Zn1?
What is the density of Pt2Y1Zn1?
How many polymorphs of Pt2Y1Zn1 are known?
What elements does Pt2Y1Zn1 contain?
Where does the data for Pt2Y1Zn1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloy catalysts, Pt2Y1Zn1 occupies a distinct niche compared to more stable, well-characterized intermetallics like As2Pt or Ga2Ru. While many of its peers exhibit robust thermodynamic stability, Pt2Y1Zn1 is notable for its metastable nature, which differentiates it from the more conventional, hull-stable members of this diverse chemical family.
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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