La3Rh2
La3Rh2 is a metallic lanthanum-rhodium alloy that serves as a stable candidate for catalytic research.
About La3Rh2
La3Rh2 is a metallic intermetallic compound composed of lanthanum and rhodium. As a member of the platinum-group alloy catalyst family, it exhibits characteristic metallic conductivity and structural features that make it a subject of interest for specialized catalytic applications.
This compound is noted for its near-hull thermodynamic stability, suggesting it is a viable candidate for experimental synthesis. Its classification within this group highlights its potential role in complex chemical processes where lanthanum-based alloys are utilized to tune electronic environments for surface reactions.
Key Properties
Cross-validated computational properties for La3Rh2, aggregated across 5 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 La3Rh2, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 0.00 | 0.0067 | -6.569 | 7.80 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.53 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.51 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.97 |
| R-3 (No. 148) | Trigonal | — | — | — | 7.90 |
| R-3 (No. 148) | Trigonal | — | — | — | 7.84 |
| — | — | — | — | — | 6.83 |
| R-3 (No. 148) | Trigonal | — | — | — | 7.73 |
| P-3m1 (No. 164) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
Applications
Where La3Rh2 is used.
Frequently Asked Questions
Common questions about La3Rh2, answered from cross-validated data.
What is La3Rh2?
La3Rh2 is a metallic lanthanum-rhodium alloy that serves as a stable candidate for catalytic research.
What is La3Rh2 used for?
What is the band gap of La3Rh2?
Is La3Rh2 a metal, semiconductor, or insulator?
Is La3Rh2 thermodynamically stable?
What is the crystal structure of La3Rh2?
What is the density of La3Rh2?
How many polymorphs of La3Rh2 are known?
What elements does La3Rh2 contain?
Where does the data for La3Rh2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, La3Rh2 occupies a distinct niche compared to siblings like LaRh or Ga2Ru. While many members of this class are explored for their specific stoichiometry and electronic density, La3Rh2 stands out due to its specific lanthanum-rich composition, which influences its structural stability and potential surface reactivity differently than the more rhodium-rich or pnictide-based phases.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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