Al1Ir2Li1
Al1Ir2Li1 is a semimetallic, metastable intermetallic compound containing aluminum, iridium, and lithium that is studied for its potential in catalytic applications.
About Al1Ir2Li1
Al1Ir2Li1 is a complex intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by a semimetallic electronic structure, it represents a unique intersection of light-element lithium and heavy transition metals, offering a distinct electronic environment for potential catalytic interactions.
While this material exhibits significant structural diversity with numerous reported configurations, it is identified as being thermodynamically metastable. This positioning above the stability hull suggests that its synthesis and practical application require precise control over processing conditions to stabilize the desired atomic arrangement.
Key Properties
Cross-validated computational properties for Al1Ir2Li1, 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 Al1Ir2Li1, 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 | 0.07 | 3.1965 | -25.958 | 0.93 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
Applications
Where Al1Ir2Li1 is used.
Frequently Asked Questions
Common questions about Al1Ir2Li1, answered from cross-validated data.
What is Al1Ir2Li1?
Al1Ir2Li1 is a semimetallic, metastable intermetallic compound containing aluminum, iridium, and lithium that is studied for its potential in catalytic applications.
What is Al1Ir2Li1 used for?
What is the band gap of Al1Ir2Li1?
Is Al1Ir2Li1 a metal, semiconductor, or insulator?
Is Al1Ir2Li1 thermodynamically stable?
What is the crystal structure of Al1Ir2Li1?
What is the density of Al1Ir2Li1?
How many polymorphs of Al1Ir2Li1 are known?
What elements does Al1Ir2Li1 contain?
Where does the data for Al1Ir2Li1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Al1Ir2Li1 stands out for its inclusion of lithium, which differentiates it from more traditional binary systems like IrSe2 or As2Ir. Unlike the more robust and thermodynamically favored members of this class, Al1Ir2Li1 requires careful synthesis due to its metastable nature, placing it in a specialized niche compared to the more stable intermetallic phases found in this 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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