Ir2La1Y1
Ir2La1Y1 is a semiconducting ternary intermetallic compound composed of iridium, lanthanum, and yttrium, primarily studied for its potential catalytic properties.
About Ir2La1Y1
Ir2La1Y1 is a complex intermetallic compound classified within the platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, this material represents a unique intersection of rare-earth elements and noble metals, offering a distinct electronic environment for potential surface-mediated reactions.
While this compound is currently identified as residing above the thermodynamic hull, its structural diversity is evidenced by numerous reported configurations. Its study contributes to the broader understanding of how lanthanum and yttrium can modulate the catalytic properties of iridium-based systems in specialized environments.
Key Properties
Cross-validated computational properties for Ir2La1Y1, 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 Ir2La1Y1, 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 | 0.57 | 2.4108 | -5.623 | 0.97 |
| P4mm (No. 99) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Applications
Where Ir2La1Y1 is used.
Frequently Asked Questions
Common questions about Ir2La1Y1, answered from cross-validated data.
What is Ir2La1Y1?
Ir2La1Y1 is a semiconducting ternary intermetallic compound composed of iridium, lanthanum, and yttrium, primarily studied for its potential catalytic properties.
What is Ir2La1Y1 used for?
What is the band gap of Ir2La1Y1?
Is Ir2La1Y1 a metal, semiconductor, or insulator?
Is Ir2La1Y1 thermodynamically stable?
What is the crystal structure of Ir2La1Y1?
What is the density of Ir2La1Y1?
How many polymorphs of Ir2La1Y1 are known?
What elements does Ir2La1Y1 contain?
Where does the data for Ir2La1Y1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Ir2La1Y1 occupies a niche position compared to more stable or commonly studied counterparts like As2Ir or Ga2Ru. While many members of this class are investigated for their robust metallic behavior, the semiconducting nature of this ternary system sets it apart, highlighting the complex phase space that exists when balancing iridium with multiple rare-earth components.
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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