BiRh
BiRh is a stable, metallic intermetallic compound composed of bismuth and rhodium that serves as a subject of study in catalytic alloy research.
About BiRh
BiRh is a metallic intermetallic compound belonging to the platinum-group alloy catalyst class. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within its chemical system. Its metallic nature suggests high electrical conductivity, making it an interesting candidate for electronic and catalytic applications where electron transport is critical. The extensive structural data available for this compound underscores its significance in materials science research. It is primarily investigated for its potential in specialized catalytic processes where the unique interaction between bismuth and rhodium can be leveraged to tune surface reactivity. Its stability ensures that it remains a reliable subject for experimental and theoretical studies in alloy design.
Key Properties
Cross-validated computational properties for BiRh, 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 BiRh. 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 BiRh, 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 | -41.513 | 12.31 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.3048 | -41.208 | 12.36 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.45 |
| C2/m (No. 12) | Monoclinic | — | — | — | 10.44 |
| Pm (No. 6) | Monoclinic | — | — | — | 9.05 |
| Pm (No. 6) | Monoclinic | — | — | — | 11.30 |
| Pm (No. 6) | Monoclinic | — | — | — | 10.29 |
| Pm (No. 6) | Monoclinic | — | — | — | 8.66 |
| Pm (No. 6) | Monoclinic | — | — | — | 11.54 |
| Pm (No. 6) | Monoclinic | — | — | — | 10.23 |
| P1 (No. 1) | Triclinic | — | — | — | 4.49 |
| P1 (No. 1) | Triclinic | — | — | — | 5.25 |
Applications
Where BiRh is used.
Frequently Asked Questions
Common questions about BiRh, answered from cross-validated data.
What is BiRh?
BiRh is a stable, metallic intermetallic compound composed of bismuth and rhodium that serves as a subject of study in catalytic alloy research.
What is BiRh used for?
What is the band gap of BiRh?
Is BiRh a metal, semiconductor, or insulator?
Is BiRh thermodynamically stable?
What is the crystal structure of BiRh?
What is the density of BiRh?
How many polymorphs of BiRh are known?
What elements does BiRh contain?
Where does the data for BiRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, BiRh distinguishes itself through its specific thermodynamic stability compared to more complex intermetallic systems like As2Pt or Ga2Ru. While many members of this class exhibit varied structural motifs, BiRh occupies a well-defined position on the convex hull, suggesting a more straightforward energetic profile than some of its more structurally intricate siblings like IrSe2.
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.
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