LaRh
LaRh is a thermodynamically stable semimetallic alloy composed of lanthanum and rhodium, primarily utilized in the field of advanced catalysis.
About LaRh
LaRh is a robust intermetallic compound belonging to the class of platinum-group alloy catalysts. Characterized by its semimetallic electronic nature, this material sits firmly on the convex hull, indicating exceptional thermodynamic stability that makes it a reliable candidate for demanding catalytic environments. Its structural versatility is highlighted by a high number of reported phases across various databases, reflecting a complex and well-studied atomic arrangement. This stability and electronic character allow it to facilitate specific surface reactions that are critical in modern chemical processing and materials engineering. By balancing the reactive potential of rhodium with the structural influence of lanthanum, LaRh serves as a foundational material for researchers investigating high-performance catalytic alloys. Its ability to maintain structural integrity under varied conditions underscores its importance in the development of durable, efficient, and selective industrial catalysts.
Key Properties
Cross-validated computational properties for LaRh, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LaRh. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for LaRh, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.08 | 0.0000 | -6.890 | 8.50 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 8.52 |
| P1 (No. 1) | Triclinic | — | — | — | 6.76 |
| P1 (No. 1) | Triclinic | — | — | — | 7.03 |
| P1 (No. 1) | Triclinic | — | — | — | 4.52 |
| C2 (No. 5) | Monoclinic | — | — | — | 7.00 |
| C2 (No. 5) | Monoclinic | — | — | — | 7.05 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.09 |
| Cmcm (No. 63) | — | — | — | — | — |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.90 |
| P21/m (No. 11) | Monoclinic | — | — | — | 8.21 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 8.37 |
Applications
Where LaRh is used.
Frequently Asked Questions
Common questions about LaRh, answered from cross-validated data.
What is LaRh?
LaRh is a thermodynamically stable semimetallic alloy composed of lanthanum and rhodium, primarily utilized in the field of advanced catalysis.
What is LaRh used for?
What is the band gap of LaRh?
Is LaRh a metal, semiconductor, or insulator?
Is LaRh thermodynamically stable?
What is the crystal structure of LaRh?
What is the density of LaRh?
How many polymorphs of LaRh are known?
What elements does LaRh contain?
Where does the data for LaRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike the more complex binary compounds in its class such as As2Pt or Ga2Ru, LaRh represents a simpler, highly stable stoichiometric arrangement that provides a clear baseline for studying lanthanum-rhodium interactions. While siblings like PdSe or IrSe2 often lean toward chalcogenide-based catalytic pathways, LaRh occupies a distinct niche as a metallic alloy, offering different charge-transfer characteristics that are essential for tailoring catalytic selectivity in specialized chemical syntheses.
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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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