BeRu3
BeRu3 is a metallic intermetallic alloy containing beryllium and ruthenium that is studied for its potential roles in catalytic applications.
About BeRu3
BeRu3 is a metallic intermetallic compound composed of beryllium and ruthenium. As a member of the platinum-group alloy catalyst class, it exhibits the characteristic high conductivity and electronic density associated with transition metal-rich phases. Its structural complexity is highlighted by the significant number of reported configurations across various databases, reflecting a diverse landscape of potential atomic arrangements. While it is classified as a catalyst candidate, its thermodynamic status above the hull suggests that it may be metastable, requiring specific synthesis conditions to stabilize its crystalline form. This makes it an intriguing subject for researchers investigating the interplay between structural stability and catalytic activity in ruthenium-based alloys.
Key Properties
Cross-validated computational properties for BeRu3, 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.
Reported Structures
Lowest-energy structures reported for BeRu3, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.2164 | -7.799 | 10.05 |
| P3m1 (No. 156) | Trigonal | — | — | — | 9.53 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.03 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.99 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.66 |
| P21/m (No. 11) | Monoclinic | — | — | — | 10.15 |
| P-1 (No. 2) | Triclinic | — | — | — | 11.51 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.97 |
| P21/m (No. 11) | Monoclinic | — | — | — | 9.63 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.83 |
| Cm (No. 8) | Monoclinic | — | — | — | 11.84 |
| Cm (No. 8) | Monoclinic | — | — | — | 8.64 |
Applications
Where BeRu3 is used.
Frequently Asked Questions
Common questions about BeRu3, answered from cross-validated data.
What is BeRu3?
BeRu3 is a metallic intermetallic alloy containing beryllium and ruthenium that is studied for its potential roles in catalytic applications.
What is BeRu3 used for?
What is the band gap of BeRu3?
Is BeRu3 a metal, semiconductor, or insulator?
Is BeRu3 thermodynamically stable?
What is the crystal structure of BeRu3?
What is the density of BeRu3?
How many polymorphs of BeRu3 are known?
What elements does BeRu3 contain?
Where does the data for BeRu3 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloys, BeRu3 occupies a unique niche compared to more stable or common siblings like GeRu or Ga2Ru. While many members of this class are investigated for their robust performance in industrial catalysis, BeRu3 is distinguished by its specific beryllium-ruthenium stoichiometry, which contrasts with the varied p-block combinations found in counterparts like As2Ir or BaPd. Its structural diversity, evidenced by numerous reported configurations, sets it apart from simpler binary phases, positioning it as a complex system that challenges standard synthesis pathways.
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.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze BeRu3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →