Li3Rh
Li3Rh is a metastable, semimetallic alloy composed of lithium and rhodium that is primarily studied for its structural complexity and catalytic potential.
About Li3Rh
Li3Rh is a distinct member of the platinum-group alloy family, characterized by its near-zero-gap electronic structure. As a semimetallic compound, it bridges the gap between traditional metallic conductors and semiconductors, offering unique pathways for electron transport in specialized catalytic environments. Its metastable nature makes it a subject of significant interest for researchers investigating non-equilibrium phase stability.
The compound is recognized for its structural diversity, supported by extensive data across multiple material databases. This richness in structural information allows scientists to better understand the interplay between lithium and rhodium in forming complex intermetallic phases that can be tuned for specific chemical reactivity.
Key Properties
Cross-validated computational properties for Li3Rh, aggregated across 4 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 Li3Rh, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0697 | -7.847 | 3.82 |
| Fm-3m (No. 225) | cubic | 0.05 | 0.0720 | -7.845 | 3.88 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.74 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.81 |
| — | — | — | — | — | 3.58 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.85 |
| — | — | — | — | — | 3.59 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 3.69 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 3.76 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 3.82 |
Applications
Where Li3Rh is used.
Frequently Asked Questions
Common questions about Li3Rh, answered from cross-validated data.
What is Li3Rh?
Li3Rh is a metastable, semimetallic alloy composed of lithium and rhodium that is primarily studied for its structural complexity and catalytic potential.
What is Li3Rh used for?
What is the band gap of Li3Rh?
Is Li3Rh a metal, semiconductor, or insulator?
Is Li3Rh thermodynamically stable?
What is the crystal structure of Li3Rh?
What is the density of Li3Rh?
How many polymorphs of Li3Rh are known?
What elements does Li3Rh contain?
Where does the data for Li3Rh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse class of platinum-group alloys, Li3Rh stands out for its specific stoichiometry compared to more conventional phases like LaRh or Ga2Ru. While many members of this group are studied for their robust stability, Li3Rh is notable for its metastable character, which provides a unique platform for studying phase transitions and catalytic behavior that differs from the more stable, rigid structures found in the broader alloy family.
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).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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