Nb2Ru
Nb2Ru is a metallic niobium-ruthenium alloy that serves as a research subject in the study of platinum-group catalytic materials.
About Nb2Ru
Nb2Ru is a binary metallic alloy composed of niobium and ruthenium. As a member of the platinum-group alloy catalyst class, it exhibits characteristic metallic electronic properties, reflecting the strong orbital hybridization typical of transition metal intermetallics. Its structural complexity is highlighted by a significant number of reported configurations across various databases. While it is categorized as a potential catalyst candidate, its thermodynamic profile suggests it resides above the stability hull. This indicates that the material is likely metastable, requiring specific synthetic conditions to stabilize its phase for experimental investigation.
Key Properties
Cross-validated computational properties for Nb2Ru, 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 Nb2Ru, 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. |
|---|---|---|---|---|---|
| Fmmm (No. 69) | orthorhombic | 0.00 | 0.1254 | -25.056 | 9.39 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.55 |
| C2 (No. 5) | Monoclinic | — | — | — | 9.41 |
| C2 (No. 5) | Monoclinic | — | — | — | 7.76 |
| Pc (No. 7) | Monoclinic | — | — | — | 8.89 |
| C2/m (No. 12) | Monoclinic | — | — | — | 10.21 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.48 |
| C2/m (No. 12) | Monoclinic | — | — | — | 9.25 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.69 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 6.57 |
| Pc (No. 7) | Monoclinic | — | — | — | 8.05 |
| C2/m (No. 12) | Monoclinic | — | — | — | 10.04 |
Applications
Where Nb2Ru is used.
Frequently Asked Questions
Common questions about Nb2Ru, answered from cross-validated data.
What is Nb2Ru?
Nb2Ru is a metallic niobium-ruthenium alloy that serves as a research subject in the study of platinum-group catalytic materials.
What is Nb2Ru used for?
What is the band gap of Nb2Ru?
Is Nb2Ru a metal, semiconductor, or insulator?
Is Nb2Ru thermodynamically stable?
What is the crystal structure of Nb2Ru?
What is the density of Nb2Ru?
How many polymorphs of Nb2Ru are known?
What elements does Nb2Ru contain?
Where does the data for Nb2Ru come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloy catalysts, Nb2Ru occupies a distinct position compared to more stable or common phases like GeRu or P3Ru. While many members of this class are engineered for high thermodynamic robustness, Nb2Ru is characterized by its metastable nature, making it a subject of interest for researchers studying phase formation and structural diversity in transition metal alloys.
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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