Ir1La2Ru1
Ir1La2Ru1 is a semimetallic, metastable intermetallic compound composed of iridium, lanthanum, and ruthenium used in catalytic materials research.
About Ir1La2Ru1
Ir1La2Ru1 is a complex intermetallic compound belonging to the platinum-group alloy catalyst class. Characterized by its near-zero-gap electronic structure, it functions as a semimetallic material that bridges the gap between metallic conductors and semiconductors.
While it exhibits significant structural diversity with numerous reported configurations, it is considered thermodynamically unstable as it resides above the hull. Its unique composition of iridium, lanthanum, and ruthenium makes it a subject of interest for researchers investigating specialized catalytic surfaces and electronic properties.
Key Properties
Cross-validated computational properties for Ir1La2Ru1, 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 Ir1La2Ru1, 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 | 1.9244 | -5.552 | 0.94 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Ir1La2Ru1 is used.
Frequently Asked Questions
Common questions about Ir1La2Ru1, answered from cross-validated data.
What is Ir1La2Ru1?
Ir1La2Ru1 is a semimetallic, metastable intermetallic compound composed of iridium, lanthanum, and ruthenium used in catalytic materials research.
What is Ir1La2Ru1 used for?
What is the band gap of Ir1La2Ru1?
Is Ir1La2Ru1 a metal, semiconductor, or insulator?
Is Ir1La2Ru1 thermodynamically stable?
What is the crystal structure of Ir1La2Ru1?
What is the density of Ir1La2Ru1?
How many polymorphs of Ir1La2Ru1 are known?
What elements does Ir1La2Ru1 contain?
Where does the data for Ir1La2Ru1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, Ir1La2Ru1 stands out for its complex stoichiometry compared to simpler, more stable binary systems like LaRh or GeRu. Unlike these more conventional members, its status as a metastable phase highlights the intricate synthetic challenges associated with incorporating rare-earth elements into platinum-group frameworks.
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).
Analyze Ir1La2Ru1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →