FeSn
FeSn is a stable metallic intermetallic compound formed from iron and tin that is frequently studied for its diverse structural properties.
About FeSn
FeSn is a robust intermetallic compound composed of iron and tin. As a thermodynamically stable phase located on the convex hull, it represents a reliable structural configuration that is highly significant for fundamental materials science studies.
Exhibiting clear metallic electronic character, this compound is characterized by its extensive structural data, with numerous reported arrangements across various databases. Its stability and well-documented nature make it a key subject for understanding iron-tin binary systems.
Key Properties
Cross-validated computational properties for FeSn, 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.
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 FeSn. 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 FeSn, 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 | -0.057 | — |
| P6/mmm (No. 191) | hexagonal | 0.00 | 0.0000 | -6.243 | 7.90 |
| P6/mmm (No. 191) | hexagonal | 0.00 | 0.0297 | 0.028 | — |
| P6/mmm (No. 191) | hexagonal | 0.00 | 0.0297 | 0.028 | — |
| — | — | 0.00 | 0.0777 | 0.021 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1785 | 0.177 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1868 | -6.056 | 7.84 |
| — | — | 0.00 | 0.1876 | 0.131 | — |
| — | — | 0.00 | 0.2905 | 0.234 | — |
| — | — | 0.00 | 0.3130 | 0.257 | — |
| — | — | 0.00 | 0.3256 | 0.269 | — |
| — | — | 0.00 | 0.3282 | 0.272 | — |
Applications
Where FeSn is used.
Frequently Asked Questions
Common questions about FeSn, answered from cross-validated data.
What is FeSn?
FeSn is a stable metallic intermetallic compound formed from iron and tin that is frequently studied for its diverse structural properties.
What is FeSn used for?
What is the band gap of FeSn?
Is FeSn a metal, semiconductor, or insulator?
Is FeSn thermodynamically stable?
What is the crystal structure of FeSn?
What is the density of FeSn?
How many polymorphs of FeSn are known?
What elements does FeSn contain?
Where does the data for FeSn come from?
How It Compares
As a standalone intermetallic phase in this context, FeSn serves as a primary reference point for iron-tin binary interactions, demonstrating high thermodynamic stability that distinguishes it as a foundational material within its compositional class.
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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