NbSn2
NbSn2 is a thermodynamically stable, metallic intermetallic compound belonging to the A15 structural family.
About NbSn2
NbSn2 is a metallic intermetallic compound that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. As a member of the A15-related structural family, it exhibits metallic behavior characterized by the absence of a band gap, which is essential for its potential role in advanced electronic and superconducting applications.
This material is of particular interest due to its structural complexity, supported by extensive data across multiple crystallographic databases. Its stability and metallic nature make it a compelling subject for researchers investigating the interplay between stoichiometry and superconducting performance in binary niobium-tin systems.
Key Properties
Cross-validated computational properties for NbSn2, aggregated across 6 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 NbSn2. 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 NbSn2, 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 | 0.0000 | -0.198 | — |
| Fddd (No. 70) | orthorhombic | 0.00 | 0.0000 | -24.859 | 8.07 |
| Fddd (No. 70) | orthorhombic | 0.00 | 0.0000 | -0.121 | — |
| — | — | 0.00 | 1.0256 | 0.828 | — |
| P1 (No. 1) | triclinic | — | — | — | 8.57 |
| P1 (No. 1) | triclinic | — | — | — | 11.34 |
| P-1 (No. 2) | triclinic | — | — | — | 5.31 |
| P-1 (No. 2) | triclinic | — | — | — | 4.94 |
| P-1 (No. 2) | triclinic | — | — | — | 5.40 |
| P-1 (No. 2) | triclinic | — | — | — | 9.04 |
| P-1 (No. 2) | triclinic | — | — | — | 6.94 |
| C2 (No. 5) | monoclinic | — | — | — | 5.02 |
Applications
Where NbSn2 is used.
Frequently Asked Questions
Common questions about NbSn2, answered from cross-validated data.
What is NbSn2?
NbSn2 is a thermodynamically stable, metallic intermetallic compound belonging to the A15 structural family.
What is NbSn2 used for?
What is the band gap of NbSn2?
Is NbSn2 a metal, semiconductor, or insulator?
Is NbSn2 thermodynamically stable?
What is the crystal structure of NbSn2?
What is the density of NbSn2?
How many polymorphs of NbSn2 are known?
What elements does NbSn2 contain?
Where does the data for NbSn2 come from?
How It Compares
Within the a15 superconductors class.
Within the diverse A15-related class, NbSn2 stands out for its distinct stoichiometry compared to more conventional members like Nb3Si or Nb2Al. While many compounds in this group are primarily investigated for their high-temperature superconducting transitions, NbSn2 provides a unique structural reference point that helps researchers map the stability limits and phase behavior of niobium-based intermetallics.
Related Compounds
Other A15 Superconductors in the database.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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