Nb3Sn
Nb3Sn has a DFT band gap of Metallic / not reported across 73 reported structures in 19 space groups; its reference structure is cubic (Pm-3n (No. 223)). Cross-validated across 5 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Nb3Sn, 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.
Metallic / not reported
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.
0.000 eV/atom
Best (lowest) across sources
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.
Stable
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
73
5 databases, 19 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Nb3Sn. 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.
1.00 / 1.00
Trust tier: high
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
3
jarvis, materials_project, oqmd
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for Nb3Sn, 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 | -0.195 | — |
| Pm-3n (No. 223) | cubic | 0.00 | 0.0000 | -0.144 | — |
| Pm-3n (No. 223) | cubic | 0.00 | 0.0000 | -24.957 | 8.74 |
| — | — | 0.00 | 0.0002 | -0.195 | — |
| — | — | 0.00 | 0.0913 | -0.104 | — |
| — | — | 0.00 | 0.1070 | -0.088 | — |
| — | — | 0.00 | 0.1658 | -0.030 | — |
| — | — | 0.00 | 0.1737 | -0.022 | — |
| P-1 (No. 2) | triclinic | — | — | — | 6.75 |
| P-1 (No. 2) | triclinic | — | — | — | 5.18 |
| P-1 (No. 2) | triclinic | — | — | — | 8.34 |
| P-1 (No. 2) | triclinic | — | — | — | 7.46 |
Intellectual Property
Patent Landscape
7 patents reference Nb3Sn or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 11491543 | Method for producing an Nb3Sn superconductor wire | — | — |
| 8765053 | Sn based alloys with fine compound inclusions for Nb3Sn superconducting wires | — | — |
| 6918172 | Process for manufacturing Nb3Sn superconductor | — | — |
| 10573435 | Method for producing a multifilament Nb3Sn superconducting wire | — | — |
| 7459030 | Manufacturing method of Nb3Sn superconductive wire using powder technique | — | — |
| 7459031 | Method for producing Nb3Sn superconductive wire material using powder process | — | — |
| 11476017 | Method for producing Nb3Sn superconducting wire, precursor for Nb3Sn superconducting wire, and Nb3Sn supercond | — | — |
Reference
Frequently Asked Questions
Common questions about Nb3Sn, answered from cross-validated data.
What is the band gap of Nb3Sn?
The reported DFT structures of Nb3Sn 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.
More questions
Is Nb3Sn a metal, semiconductor, or insulator?
DFT calculations predict no band gap. Standard DFT can miss gaps, so measurements are needed to confirm metallic behavior.
Is Nb3Sn thermodynamically stable?
Yes — Nb3Sn sits on the convex hull (energy above hull 0 eV/atom), i.e. stable.
What is the crystal structure of Nb3Sn?
The reference structure of Nb3Sn is cubic symmetry, space group Pm-3n (No. 223).
How many polymorphs of Nb3Sn are known?
73 structures of Nb3Sn are reported across 5 databases, spanning 19 distinct space groups.
What elements does Nb3Sn contain?
Nb3Sn contains Nb and Sn (2 elements).
Where does the data for Nb3Sn come from?
Nb3Sn data is cross-referenced from oqmd, jarvis, materials_project, mpaloe, cod.
Explore
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)
- 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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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