BRh
BRh is a thermodynamically stable metallic alloy composed of boron and rhodium, frequently studied for its potential in catalytic and material science applications.
About BRh
BRh is a robust inorganic compound belonging to the platinum-group alloy catalyst class. Characterized by its metallic electronic nature, this material maintains high thermodynamic stability, positioning it as a reliable candidate for structural and catalytic investigations. Its structural versatility is highlighted by a significant number of reported configurations across major material databases. This stability makes it a compelling subject for researchers focused on the development of durable, metallic-based catalysts for complex chemical processes. Its ability to remain stable under various conditions underscores its potential utility in high-performance applications where material integrity is paramount.
Key Properties
Cross-validated computational properties for BRh, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BRh. 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 BRh, 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 | 0.0000 | -0.342 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -16.170 | 9.34 |
| — | — | 0.00 | 0.0002 | -0.389 | — |
| — | — | 0.00 | 0.1382 | -0.251 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1889 | -0.153 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.2136 | -15.957 | 8.83 |
| — | — | 0.00 | 0.3481 | -0.041 | — |
| — | — | 0.00 | 0.3541 | -0.035 | — |
| — | — | 0.00 | 0.4059 | 0.016 | — |
| — | — | 0.44 | 0.4164 | 0.027 | — |
| — | — | 0.00 | 0.4549 | 0.066 | — |
| P1 (No. 1) | triclinic | — | — | — | 7.84 |
Applications
Where BRh is used.
Frequently Asked Questions
Common questions about BRh, answered from cross-validated data.
What is BRh?
BRh is a thermodynamically stable metallic alloy composed of boron and rhodium, frequently studied for its potential in catalytic and material science applications.
What is BRh used for?
What is the band gap of BRh?
Is BRh a metal, semiconductor, or insulator?
Is BRh thermodynamically stable?
What is the crystal structure of BRh?
How many polymorphs of BRh are known?
What elements does BRh contain?
Where does the data for BRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, BRh stands out for its exceptional thermodynamic stability compared to more complex intermetallic counterparts like LaRh or As2Pt. While many members of this class are explored for their specific catalytic pathways, BRh offers a more fundamental structural profile that serves as a benchmark for understanding bonding behavior in boron-transition metal systems.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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