B2Ru
B2Ru is a stable metallic alloy composed of ruthenium and boron used primarily in catalytic research.
About B2Ru
B2Ru is a metallic platinum-group alloy that occupies a stable position on the thermodynamic convex hull. Its structural integrity and electronic properties make it a subject of significant interest within the field of transition metal borides and catalysts.
As a highly characterized material with extensive structural data, B2Ru serves as a fundamental building block in the study of ruthenium-based alloys. It is primarily utilized in research contexts where stable, metallic catalysts are required for advanced chemical transformations.
Key Properties
Cross-validated computational properties for B2Ru, 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 B2Ru. 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 B2Ru, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0000 | -0.277 | — |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.0000 | -0.246 | — |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.0000 | -13.681 | 7.56 |
| — | — | 0.00 | 0.9242 | 0.647 | — |
| — | — | 0.00 | 1.6353 | 1.358 | — |
| P1 (No. 1) | triclinic | — | — | — | 7.46 |
| P1 (No. 1) | triclinic | — | — | — | 8.56 |
| P1 (No. 1) | triclinic | — | — | — | 4.81 |
| P1 (No. 1) | triclinic | — | — | — | 7.82 |
| P1 (No. 1) | triclinic | — | — | — | 8.61 |
| P1 (No. 1) | triclinic | — | — | — | 3.97 |
| P1 (No. 1) | triclinic | — | — | — | 7.65 |
Applications
Where B2Ru is used.
Frequently Asked Questions
Common questions about B2Ru, answered from cross-validated data.
What is B2Ru?
B2Ru is a stable metallic alloy composed of ruthenium and boron used primarily in catalytic research.
What is B2Ru used for?
What is the band gap of B2Ru?
Is B2Ru a metal, semiconductor, or insulator?
Is B2Ru thermodynamically stable?
What is the crystal structure of B2Ru?
How many polymorphs of B2Ru are known?
What elements does B2Ru contain?
Where does the data for B2Ru come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the class of platinum-group alloy catalysts, B2Ru distinguishes itself through its high thermodynamic stability compared to more complex or less stable members like BaPd or LaRh. While many related compounds in this group exhibit diverse bonding environments, B2Ru remains a robust, well-defined metallic phase that provides a reliable benchmark for studying ruthenium-boron interactions.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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