NbSb2
NbSb2 is a thermodynamically stable metallic intermetallic compound composed of niobium and antimony.
About NbSb2
NbSb2 is a binary intermetallic compound characterized by its metallic electronic structure. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of niobium and antimony atoms that maintains structural integrity under standard conditions. Its stability makes it an intriguing subject for fundamental studies in condensed matter physics and materials science. The compound is well-documented in scientific literature, with numerous reported structures reflecting its versatility in various crystalline arrangements. This extensive data availability highlights its significance as a benchmark material for researchers investigating the interplay between transition metals and pnictogens in metallic systems.
Key Properties
Cross-validated computational properties for NbSb2, aggregated across 5 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 NbSb2. 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 NbSb2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.00 | 0.0000 | -0.240 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0000 | -25.697 | 8.10 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0000 | -0.240 | — |
| — | — | 0.00 | 0.0000 | -0.280 | — |
| — | — | 0.00 | 0.1147 | -0.165 | — |
| — | — | 0.00 | 0.5300 | 0.251 | — |
| — | — | 0.00 | 1.0343 | 0.755 | — |
| — | — | 0.00 | 1.2677 | 0.988 | — |
| P1 (No. 1) | triclinic | — | — | — | 10.15 |
| P1 (No. 1) | triclinic | — | — | — | 6.66 |
| P1 (No. 1) | triclinic | — | — | — | 4.88 |
| P1 (No. 1) | triclinic | — | — | — | 6.67 |
Applications
Where NbSb2 is used.
Frequently Asked Questions
Common questions about NbSb2, answered from cross-validated data.
What is NbSb2?
NbSb2 is a thermodynamically stable metallic intermetallic compound composed of niobium and antimony.
What is NbSb2 used for?
What is the band gap of NbSb2?
Is NbSb2 a metal, semiconductor, or insulator?
Is NbSb2 thermodynamically stable?
What is the crystal structure of NbSb2?
How many polymorphs of NbSb2 are known?
What elements does NbSb2 contain?
Where does the data for NbSb2 come from?
How It Compares
As a stable metallic phase, NbSb2 occupies a distinct position in the landscape of niobium-antimony compounds. It serves as a primary reference point for understanding the bonding and structural preferences within this binary system, providing essential insights for the development of new intermetallic materials with tailored electronic properties.
Data sources & attribution
- 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)
- 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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