Ir2Y2
Ir2Y2 is a thermodynamically stable metallic alloy composed of iridium and yttrium that is utilized in catalytic research.
About Ir2Y2
Ir2Y2 is a metallic platinum-group alloy catalyst that occupies a stable position on the convex hull. Its structural integrity and electronic properties make it a subject of significant interest within the broader family of transition metal intermetallics. The material is characterized by a robust atomic arrangement that supports its role in catalytic research and development. Given its thermodynamic stability, it serves as a reliable candidate for investigating fundamental interactions in complex alloy systems.
Key Properties
Cross-validated computational properties for Ir2Y2, aggregated across 5 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 Ir2Y2, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -8.473 | 11.71 |
| P4/nmm (No. 129) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| P63mc (No. 186) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
Applications
Where Ir2Y2 is used.
Frequently Asked Questions
Common questions about Ir2Y2, answered from cross-validated data.
What is Ir2Y2?
Ir2Y2 is a thermodynamically stable metallic alloy composed of iridium and yttrium that is utilized in catalytic research.
What is Ir2Y2 used for?
What is the band gap of Ir2Y2?
Is Ir2Y2 a metal, semiconductor, or insulator?
Is Ir2Y2 thermodynamically stable?
What is the crystal structure of Ir2Y2?
What is the density of Ir2Y2?
How many polymorphs of Ir2Y2 are known?
What elements does Ir2Y2 contain?
Where does the data for Ir2Y2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse class of platinum-group alloy catalysts, Ir2Y2 stands out for its thermodynamic stability compared to more complex or metastable compounds like As2Ir or Ga2Ru. While many members of this group exhibit varying degrees of structural complexity, Ir2Y2 maintains a consistent profile that aligns with the requirements for stable metallic phases in high-performance catalytic applications.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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