NbSbRu
NbSbRu is a stable, semiconducting alloy composed of niobium, antimony, and ruthenium used in catalytic research.
About NbSbRu
NbSbRu is a distinct member of the platinum-group alloy catalyst family, characterized by its semiconducting electronic nature. Its position on the convex hull confirms that it is a thermodynamically stable phase, making it a robust candidate for specialized catalytic applications.
This material benefits from significant research interest, evidenced by its presence across multiple structural databases. Its unique combination of niobium, antimony, and ruthenium allows it to function effectively in environments where stability and specific electronic properties are paramount.
Key Properties
Cross-validated computational properties for NbSbRu, aggregated across 3 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 NbSbRu. 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 NbSbRu, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.38 | 0.0000 | -25.804 | 8.90 |
| F-43m (No. 216) | cubic | 0.37 | 0.0000 | -0.370 | — |
| F-43m (No. 216) | cubic | 0.37 | 0.0000 | -0.370 | — |
| — | — | 0.47 | 0.0001 | -0.421 | — |
| — | — | 0.00 | 0.2357 | -0.185 | — |
| — | — | 0.00 | 0.2590 | -0.162 | — |
| — | — | 0.00 | 0.2857 | -0.135 | — |
| — | — | 3.63 | 0.2857 | -0.135 | — |
| — | — | 0.00 | 0.3189 | -0.102 | — |
| — | — | 0.00 | 0.3367 | -0.084 | — |
| — | — | 0.00 | 0.3638 | -0.057 | — |
| — | — | 0.00 | 0.4302 | 0.009 | — |
Applications
Where NbSbRu is used.
Frequently Asked Questions
Common questions about NbSbRu, answered from cross-validated data.
What is NbSbRu?
NbSbRu is a stable, semiconducting alloy composed of niobium, antimony, and ruthenium used in catalytic research.
What is NbSbRu used for?
What is the band gap of NbSbRu?
Is NbSbRu a metal, semiconductor, or insulator?
Is NbSbRu thermodynamically stable?
What is the crystal structure of NbSbRu?
What is the density of NbSbRu?
How many polymorphs of NbSbRu are known?
What elements does NbSbRu contain?
Where does the data for NbSbRu come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike many platinum-group alloys that exhibit metallic behavior, NbSbRu stands out as a semiconducting material. While compounds like P3Ru or GeRu are often studied for their metallic conductivity, NbSbRu offers a different electronic profile that may be advantageous for targeted catalytic processes requiring a band gap.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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