Ir1Pd1Zn2
Ir1Pd1Zn2 is a semimetallic ternary alloy of iridium, palladium, and zinc used in research for advanced catalytic materials.
About Ir1Pd1Zn2
Ir1Pd1Zn2 is a ternary intermetallic compound within the platinum-group alloy catalyst family. Its near-zero-gap electronic structure suggests semimetallic behavior, which is a critical factor for tuning surface reactivity in catalytic processes. The material is categorized as a metastable phase, as it sits above the thermodynamic hull. Despite its instability, the high structural complexity observed across numerous reported configurations highlights its significance in fundamental materials research.
Key Properties
Cross-validated computational properties for Ir1Pd1Zn2, 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 Ir1Pd1Zn2, 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 | 0.06 | 2.4126 | -2.107 | 0.97 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Ir1Pd1Zn2 is used.
Frequently Asked Questions
Common questions about Ir1Pd1Zn2, answered from cross-validated data.
What is Ir1Pd1Zn2?
Ir1Pd1Zn2 is a semimetallic ternary alloy of iridium, palladium, and zinc used in research for advanced catalytic materials.
What is Ir1Pd1Zn2 used for?
What is the band gap of Ir1Pd1Zn2?
Is Ir1Pd1Zn2 a metal, semiconductor, or insulator?
Is Ir1Pd1Zn2 thermodynamically stable?
What is the crystal structure of Ir1Pd1Zn2?
What is the density of Ir1Pd1Zn2?
How many polymorphs of Ir1Pd1Zn2 are known?
What elements does Ir1Pd1Zn2 contain?
Where does the data for Ir1Pd1Zn2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable or common platinum-group alloys such as As2Ir or BaPd, Ir1Pd1Zn2 represents a more elusive phase within the class. While many of its siblings exhibit well-defined, stable crystal lattices, this compound exists in a metastable state, offering a unique, high-energy structural template that differs from the more conventional intermetallic arrangements found in the rest of the group.
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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