RhBr3
Rhodium(III) bromide · Rhodium tribromide
Rhodium(III) bromide is a stable, semiconducting rhodium halide used as a key precursor in chemical catalysis.
About Rhodium(III) bromide
Rhodium(III) bromide is a thermodynamically stable inorganic compound that exists as a semiconducting material. Its structural characteristics and relative stability make it a significant subject of study within the broader family of platinum-group metal halides and alloys.
This compound is primarily utilized in specialized chemical synthesis and as a precursor for various catalytic applications. Its ability to facilitate specific reactions is highly valued in industrial processes where rhodium-based catalysts are required for their efficiency and selectivity.
Key Properties
Cross-validated computational properties for Rhodium(III) bromide, aggregated across 3 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 RhBr3. 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 RhBr3, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 1.25 | 0.0000 | -3.915 | 5.24 |
| C2/m (No. 12) | monoclinic | 1.17 | 0.0000 | -0.450 | — |
| — | — | 1.15 | 0.0000 | -0.669 | — |
| — | — | 1.07 | 0.0345 | -0.635 | — |
| — | — | 0.00 | 0.1466 | -0.522 | — |
| — | — | 0.19 | 0.2388 | -0.430 | — |
| — | — | 0.19 | 0.2389 | -0.430 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.5504 | 0.100 | — |
| — | — | 0.00 | 0.6002 | -0.069 | — |
| — | — | 0.00 | 1.0727 | 0.404 | — |
| — | — | 0.00 | 1.1757 | 0.507 | — |
| — | — | 0.00 | 1.3363 | 0.667 | — |
Applications
Where Rhodium(III) bromide is used.
Frequently Asked Questions
Common questions about Rhodium(III) bromide, answered from cross-validated data.
What is RhBr3?
Rhodium(III) bromide is a stable, semiconducting rhodium halide used as a key precursor in chemical catalysis.
What is RhBr3 used for?
What is the band gap of RhBr3?
Is RhBr3 a metal, semiconductor, or insulator?
Is RhBr3 thermodynamically stable?
What is the crystal structure of RhBr3?
What is the density of RhBr3?
How many polymorphs of RhBr3 are known?
What elements does RhBr3 contain?
Where does the data for RhBr3 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike the metallic platinum-group alloys such as LaRh or BaPd, RhBr3 is a halide that exhibits semiconducting electronic behavior rather than metallic conductivity. While compounds like As2Pt or IrSe2 are often investigated for their unique structural motifs in solid-state chemistry, RhBr3 is distinguished by its role as a stable, discrete molecular-to-solid-state precursor in coordination chemistry.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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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