Bi2Rh
Bi2Rh is a thermodynamically stable metallic alloy composed of bismuth and rhodium that is utilized in the study of platinum-group catalytic materials.
About Bi2Rh
Bi2Rh is a metallic platinum-group alloy that occupies a stable position on the thermodynamic convex hull. As a member of this specialized class of materials, it is characterized by its robust structural integrity and lack of a band gap, which are critical features for its performance in catalytic processes. Its electronic nature makes it a subject of interest for researchers investigating the interplay between bismuth and rhodium in catalytic surface reactions. The compound is well-documented in structural databases, reflecting its significance in the broader study of intermetallic catalysts. It serves as a foundational material for understanding how noble metal alloys can be optimized for specific chemical transformations.
Key Properties
Cross-validated computational properties for Bi2Rh, 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 Bi2Rh. 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 Bi2Rh, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.00 | 0.0000 | -0.178 | — |
| — | — | 0.00 | 0.0000 | -0.205 | — |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0000 | -47.270 | 11.62 |
| — | — | 0.00 | 0.0115 | -0.194 | — |
| — | — | 0.00 | 0.0122 | -0.193 | — |
| — | — | 0.00 | 0.0383 | -0.167 | — |
| — | — | 0.00 | 0.0475 | -0.158 | — |
| — | — | 0.00 | 0.0898 | -0.115 | — |
| — | — | 0.00 | 0.0911 | -0.114 | — |
| — | — | 0.00 | 0.9318 | 0.727 | — |
| — | — | 0.00 | 1.1865 | 0.981 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 11.98 |
Applications
Where Bi2Rh is used.
Frequently Asked Questions
Common questions about Bi2Rh, answered from cross-validated data.
What is Bi2Rh?
Bi2Rh is a thermodynamically stable metallic alloy composed of bismuth and rhodium that is utilized in the study of platinum-group catalytic materials.
What is Bi2Rh used for?
What is the band gap of Bi2Rh?
Is Bi2Rh a metal, semiconductor, or insulator?
Is Bi2Rh thermodynamically stable?
What is the crystal structure of Bi2Rh?
What is the density of Bi2Rh?
How many polymorphs of Bi2Rh are known?
What elements does Bi2Rh contain?
Where does the data for Bi2Rh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloy catalysts, Bi2Rh stands out for its thermodynamic stability compared to more complex or metastable variants like As2Pt or Ga2Ru. While many members of this class are explored for their specific surface reactivity, Bi2Rh provides a highly stable structural baseline that contrasts with the varied electronic environments found in siblings such as LaRh or IrSe2.
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)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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