Ir1La2Si1
Ir1La2Si1 is a semimetallic ternary alloy containing iridium, lanthanum, and silicon that is investigated for its potential catalytic properties.
About Ir1La2Si1
Ir1La2Si1 is a complex ternary compound categorized within the platinum-group alloy catalysts. Characterized by a near-zero-gap electronic structure, it exhibits semimetallic behavior that is of significant interest for fundamental studies in solid-state physics and materials science.
While this compound is currently identified as being above the thermodynamic hull, it remains a subject of interest due to its structural diversity. Its unique composition of iridium, lanthanum, and silicon positions it as a specialized candidate for exploring catalytic surface interactions in high-performance material systems.
Key Properties
Cross-validated computational properties for Ir1La2Si1, 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 Ir1La2Si1, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 0.09 | 2.9073 | -4.692 | 2.21 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
Applications
Where Ir1La2Si1 is used.
Frequently Asked Questions
Common questions about Ir1La2Si1, answered from cross-validated data.
What is Ir1La2Si1?
Ir1La2Si1 is a semimetallic ternary alloy containing iridium, lanthanum, and silicon that is investigated for its potential catalytic properties.
What is Ir1La2Si1 used for?
What is the band gap of Ir1La2Si1?
Is Ir1La2Si1 a metal, semiconductor, or insulator?
Is Ir1La2Si1 thermodynamically stable?
What is the crystal structure of Ir1La2Si1?
What is the density of Ir1La2Si1?
How many polymorphs of Ir1La2Si1 are known?
What elements does Ir1La2Si1 contain?
Where does the data for Ir1La2Si1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Ir1La2Si1 occupies a distinct niche compared to more conventional binary systems like LaRh or GeRu. Unlike the more stable members of this class, its position relative to the thermodynamic hull suggests a metastable nature that distinguishes it from the more robust, highly-studied phases found in 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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