Nb2Sn
Nb2Sn has a DFT band gap of Metallic / not reported across 74 reported structures in 17 space groups. Cross-validated across 3 computational databases.
Key Properties
Cross-validated computational properties for Nb2Sn, 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 Nb2Sn. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (oqmd) reports a hull energy for Nb2Sn, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for Nb2Sn, 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 | 0.3530 | 0.157 | — |
| C2 (No. 5) | monoclinic | — | — | — | 7.81 |
| P1 (No. 1) | triclinic | — | — | — | 6.99 |
| P1 (No. 1) | triclinic | — | — | — | 4.93 |
| P-1 (No. 2) | triclinic | — | — | — | 5.63 |
| P-1 (No. 2) | triclinic | — | — | — | 6.13 |
| P-1 (No. 2) | triclinic | — | — | — | 10.06 |
| P-1 (No. 2) | triclinic | — | — | — | 10.25 |
| P-1 (No. 2) | triclinic | — | — | — | 8.32 |
| Pm (No. 6) | monoclinic | — | — | — | 7.22 |
| Cm (No. 8) | monoclinic | — | — | — | 8.86 |
| C2 (No. 5) | monoclinic | — | — | — | 7.25 |
Frequently Asked Questions
Common questions about Nb2Sn, answered from cross-validated data.
What is the band gap of Nb2Sn?
The reported DFT structures of Nb2Sn show no band gap. Standard DFT often misses gaps (especially in transition-metal oxides), so this is not proof the real material is a metal.
Is Nb2Sn a metal, semiconductor, or insulator?
Is Nb2Sn thermodynamically stable?
How many polymorphs of Nb2Sn are known?
What elements does Nb2Sn contain?
Where does the data for Nb2Sn come from?
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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