Nb2Sn4
Nb2Sn4 has a DFT band gap of Metallic / not reported across 12 reported structures in 8 space groups; its lowest-energy polymorph is orthorhombic (Fddd (No. 70)). Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Nb2Sn4, 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.
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
12
4 databases, 8 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Nb2Sn4, 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. |
|---|---|---|---|---|---|
| Fddd (No. 70) | orthorhombic | 0.00 | 0.0000 | -24.859 | 8.07 |
| Cmcm (No. 63) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P6/mmm (No. 191) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| — | — | — | — | — | 7.88 |
| No. 0 | unknown | — | — | — | 0.51 |
| No. 0 | unknown | — | — | — | 0.52 |
Reference
Frequently Asked Questions
Common questions about Nb2Sn4, answered from cross-validated data.
What is the band gap of Nb2Sn4?
Nb2Sn4 is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Nb2Sn4 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Nb2Sn4 thermodynamically stable?
Yes — Nb2Sn4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Nb2Sn4?
The lowest-energy reported polymorph of Nb2Sn4 is orthorhombic symmetry, space group Fddd (No. 70).
What is the density of Nb2Sn4?
The computed density of the ground-state structure of Nb2Sn4 is 8.07 g/cm³.
How many polymorphs of Nb2Sn4 are known?
12 structures of Nb2Sn4 are reported across 4 databases, spanning 8 distinct space groups.
What elements does Nb2Sn4 contain?
Nb2Sn4 contains Nb and Sn (2 elements).
Where does the data for Nb2Sn4 come from?
Nb2Sn4 data is cross-referenced from materials_project, aflow, omat24, cod.
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Related Compounds
Other A15 Superconductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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