NbSb
NbSb is a metallic, metastable binary compound of niobium and antimony that exhibits significant structural diversity.
About NbSb
NbSb is a binary intermetallic compound characterized by its metallic electronic nature. As a material that lacks a band gap, it exhibits high electrical conductivity typical of metallic systems, making it a subject of interest for fundamental studies in condensed matter physics.
Despite its metallic character, the compound is found to be thermodynamically unstable relative to its constituent elements. Its status above the hull suggests that while it can be synthesized in various structural configurations, it remains a metastable phase that requires specific conditions for formation.
Key Properties
Cross-validated computational properties for NbSb, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of NbSb. 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 NbSb, 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 | 0.1417 | -0.163 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1497 | -0.113 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1533 | -25.416 | 8.36 |
| — | — | 0.00 | 0.2348 | -0.070 | — |
| — | — | 0.00 | 0.2361 | -0.069 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.2513 | -0.011 | — |
| — | — | 0.00 | 0.3225 | 0.018 | — |
| — | — | 0.00 | 0.4113 | 0.107 | — |
| — | — | 0.00 | 0.5880 | 0.283 | — |
| — | — | 0.00 | 1.1435 | 0.839 | — |
| P1 (No. 1) | triclinic | — | — | — | 10.06 |
| C2 (No. 5) | monoclinic | — | — | — | 8.21 |
Applications
Where NbSb is used.
Frequently Asked Questions
Common questions about NbSb, answered from cross-validated data.
What is NbSb?
NbSb is a metallic, metastable binary compound of niobium and antimony that exhibits significant structural diversity.
What is NbSb used for?
What is the band gap of NbSb?
Is NbSb a metal, semiconductor, or insulator?
Is NbSb thermodynamically stable?
What is the crystal structure of NbSb?
How many polymorphs of NbSb are known?
What elements does NbSb contain?
Where does the data for NbSb come from?
How It Compares
As a binary intermetallic, NbSb occupies a unique space in materials research due to its extensive structural polymorphism. With a high number of reported structures across major databases, it demonstrates a remarkable capacity for diverse atomic arrangements, highlighting the complex interplay between niobium and antimony in forming metastable phases.
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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