V3Sn
V3Sn has a DFT band gap of Metallic / not reported across 38 reported structures in 15 space groups; its lowest-energy polymorph is cubic (Pm-3n (No. 223)). Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for V3Sn, 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.
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.
38
3 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for V3Sn, 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. |
|---|---|---|---|---|---|
| Pm-3n (No. 223) | cubic | 0.00 | 0.0000 | -16.854 | 7.49 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0090 | -16.845 | 7.13 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0398 | -16.815 | 7.39 |
| Pm (No. 6) | Monoclinic | — | — | — | 7.41 |
| P1 (No. 1) | Triclinic | — | — | — | 7.28 |
| P1 (No. 1) | Triclinic | — | — | — | 4.39 |
| C2 (No. 5) | Monoclinic | — | — | — | 5.38 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.45 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.02 |
| P1 (No. 1) | Triclinic | — | — | — | 3.48 |
| P1 (No. 1) | Triclinic | — | — | — | 3.89 |
| P1 (No. 1) | Triclinic | — | — | — | 4.03 |
Reference
Frequently Asked Questions
Common questions about V3Sn, answered from cross-validated data.
What is the band gap of V3Sn?
V3Sn is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is V3Sn a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is V3Sn thermodynamically stable?
Yes — V3Sn sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of V3Sn?
The lowest-energy reported polymorph of V3Sn is cubic symmetry, space group Pm-3n (No. 223).
What is the density of V3Sn?
The computed density of the ground-state structure of V3Sn is 7.49 g/cm³.
How many polymorphs of V3Sn are known?
38 structures of V3Sn are reported across 3 databases, spanning 15 distinct space groups.
What elements does V3Sn contain?
V3Sn contains Sn and V (2 elements).
Where does the data for V3Sn come from?
V3Sn data is cross-referenced from materials_project, mpaloe.
Explore
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).
- mpaloe — Data from mpaloe.
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