NbRu3
NbRu3 is a metallic, metastable intermetallic alloy composed of niobium and ruthenium used in materials science and catalytic research.
About NbRu3
NbRu3 is a metallic intermetallic compound belonging to the class of platinum-group alloy catalysts. Characterized by its lack of a band gap, this material exhibits typical metallic conductivity, making it an intriguing candidate for specialized catalytic research where electron mobility is paramount. Although it is classified as a metastable phase, its structural complexity is evidenced by the significant number of reported configurations across various materials databases. Its existence highlights the diverse structural landscape available to niobium-ruthenium systems under non-equilibrium conditions. This compound is primarily utilized in fundamental studies of alloy phase stability and catalytic surface science, where the interplay between the transition metal components dictates its chemical reactivity.
Key Properties
Cross-validated computational properties for NbRu3, 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 NbRu3, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0385 | -25.377 | 11.22 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0550 | -25.361 | 11.21 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1775 | -25.238 | 10.94 |
| Pm-3m (No. 221) | Cubic | — | — | — | 11.22 |
| P-1 (No. 2) | Triclinic | — | — | — | 10.54 |
| C2 (No. 5) | Monoclinic | — | — | — | 11.06 |
| Pm-3m (No. 221) | Cubic | — | — | — | 11.01 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 11.10 |
| P-1 (No. 2) | Triclinic | — | — | — | 10.59 |
| Cm (No. 8) | Monoclinic | — | — | — | 9.16 |
| P2/m (No. 10) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 11.17 |
Applications
Where NbRu3 is used.
Frequently Asked Questions
Common questions about NbRu3, answered from cross-validated data.
What is NbRu3?
NbRu3 is a metallic, metastable intermetallic alloy composed of niobium and ruthenium used in materials science and catalytic research.
What is NbRu3 used for?
What is the band gap of NbRu3?
Is NbRu3 a metal, semiconductor, or insulator?
Is NbRu3 thermodynamically stable?
What is the crystal structure of NbRu3?
What is the density of NbRu3?
How many polymorphs of NbRu3 are known?
What elements does NbRu3 contain?
Where does the data for NbRu3 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloy catalysts, NbRu3 stands out as a metastable metallic phase compared to more stable or stoichiometric counterparts like GeRu or Ga2Ru. While many members of this class, such as As2Pt or IrSe2, are frequently investigated for their distinct semiconducting or superconducting properties, NbRu3 is distinguished by its purely metallic character, placing it in a unique subset of alloys that prioritize high electronic density over the band-gap engineering often sought in other platinum-group compounds.
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.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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