IrRhZn2
IrRhZn2 is a semiconducting ternary alloy of iridium, rhodium, and zinc investigated for its potential catalytic properties.
About IrRhZn2
IrRhZn2 is a complex ternary alloy composed of iridium, rhodium, and zinc. As a member of the platinum-group alloy catalyst family, it exhibits semiconducting electronic properties that distinguish it from the more metallic members of its class. Its structural complexity is highlighted by its multiple reported configurations across various databases.
While the compound is currently characterized as being above the thermodynamic hull, its existence in multiple structural forms suggests significant interest in its potential catalytic behavior. Research into such metastable phases is vital for understanding how specific atomic arrangements can be stabilized to unlock unique surface reactivity for chemical transformations.
Key Properties
Cross-validated computational properties for IrRhZn2, aggregated across 4 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 IrRhZn2, 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 | 0.15 | 2.7111 | -21.189 | 0.96 |
| Pm (No. 6) | — | — | — | — | — |
| — | — | — | — | — | 12.40 |
| — | — | — | — | — | 12.72 |
| — | — | — | — | — | 12.22 |
| — | — | — | — | — | — |
| — | — | — | — | — | 12.21 |
Applications
Where IrRhZn2 is used.
Frequently Asked Questions
Common questions about IrRhZn2, answered from cross-validated data.
What is IrRhZn2?
IrRhZn2 is a semiconducting ternary alloy of iridium, rhodium, and zinc investigated for its potential catalytic properties.
What is IrRhZn2 used for?
What is the band gap of IrRhZn2?
Is IrRhZn2 a metal, semiconductor, or insulator?
Is IrRhZn2 thermodynamically stable?
What is the crystal structure of IrRhZn2?
What is the density of IrRhZn2?
How many polymorphs of IrRhZn2 are known?
What elements does IrRhZn2 contain?
Where does the data for IrRhZn2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike the more common metallic phases found in the platinum-group alloy class, such as LaRh or BaPd, IrRhZn2 occupies a distinct niche due to its semiconducting nature. While many siblings like As2Ir or As2Pt are studied for their robust stability, IrRhZn2 represents a more unconventional, metastable member that challenges standard design principles for high-performance catalysts.
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).
- alexandria — Data from alexandria.
Analyze IrRhZn2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →