Li2Rh1Tl1
Li2Rh1Tl1 is a semiconducting intermetallic alloy composed of lithium, rhodium, and thallium that is primarily studied for its potential catalytic properties.
About Li2Rh1Tl1
Li2Rh1Tl1 is a complex intermetallic compound belonging to the class of platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, this material represents a unique combination of alkali, transition, and post-transition metals, offering a distinct electronic environment for catalytic research.
Despite its structural variety, with numerous reported configurations, the compound sits above the thermodynamic hull, suggesting it is a metastable phase. Its existence within this class highlights the ongoing exploration of non-traditional alloy compositions for specialized catalytic pathways.
Key Properties
Cross-validated computational properties for Li2Rh1Tl1, 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 Li2Rh1Tl1, 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 | 0.25 | 1.7666 | -18.992 | 0.46 |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
Applications
Where Li2Rh1Tl1 is used.
Frequently Asked Questions
Common questions about Li2Rh1Tl1, answered from cross-validated data.
What is Li2Rh1Tl1?
Li2Rh1Tl1 is a semiconducting intermetallic alloy composed of lithium, rhodium, and thallium that is primarily studied for its potential catalytic properties.
What is Li2Rh1Tl1 used for?
What is the band gap of Li2Rh1Tl1?
Is Li2Rh1Tl1 a metal, semiconductor, or insulator?
Is Li2Rh1Tl1 thermodynamically stable?
What is the crystal structure of Li2Rh1Tl1?
What is the density of Li2Rh1Tl1?
How many polymorphs of Li2Rh1Tl1 are known?
What elements does Li2Rh1Tl1 contain?
Where does the data for Li2Rh1Tl1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Li2Rh1Tl1 occupies a niche position compared to more stable or common binary systems like LaRh or GeRu. While many of its class members are characterized by high thermodynamic stability, this compound is notable for its metastable nature, distinguishing it from the more robust, well-established intermetallic catalysts.
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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