Ga1Ir2Li1
Ga1Ir2Li1 is a semimetallic, metastable intermetallic compound composed of gallium, iridium, and lithium, studied primarily for its potential in catalytic applications.
About Ga1Ir2Li1
Ga1Ir2Li1 is a complex intermetallic compound belonging to the class of platinum-group alloy catalysts. Characterized by a semimetallic electronic structure, it exhibits a near-zero band gap that influences its potential behavior in catalytic surface reactions. Its structural complexity is highlighted by a significant number of reported configurations within materials databases.
Despite its intricate composition, this compound sits above the thermodynamic hull, suggesting it is a metastable phase. Its existence and study contribute to the broader understanding of how lithium and gallium modify the properties of iridium-rich systems, which are essential for developing high-performance catalytic materials.
Key Properties
Cross-validated computational properties for Ga1Ir2Li1, 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 Ga1Ir2Li1, 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 | 0.09 | 2.9443 | -27.086 | 1.03 |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Ga1Ir2Li1 is used.
Frequently Asked Questions
Common questions about Ga1Ir2Li1, answered from cross-validated data.
What is Ga1Ir2Li1?
Ga1Ir2Li1 is a semimetallic, metastable intermetallic compound composed of gallium, iridium, and lithium, studied primarily for its potential in catalytic applications.
What is Ga1Ir2Li1 used for?
What is the band gap of Ga1Ir2Li1?
Is Ga1Ir2Li1 a metal, semiconductor, or insulator?
Is Ga1Ir2Li1 thermodynamically stable?
What is the crystal structure of Ga1Ir2Li1?
What is the density of Ga1Ir2Li1?
How many polymorphs of Ga1Ir2Li1 are known?
What elements does Ga1Ir2Li1 contain?
Where does the data for Ga1Ir2Li1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Ga1Ir2Li1 represents a more complex, ternary addition compared to simpler binary systems like As2Ir or Ga2Ru. While many of its siblings are binary intermetallics that demonstrate high thermodynamic stability, this compound's metastable nature highlights the unique challenges and opportunities in synthesizing multi-element iridium alloys for specialized 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).
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