CuSn
CuSn is a metallic binary intermetallic compound that is theoretically stable and exhibits a wide variety of structural arrangements.
About CuSn
CuSn is a metallic intermetallic compound formed from copper and tin. It is characterized by its lack of a band gap, reflecting its conductive nature, and is considered a near-hull phase, suggesting it is a viable candidate for experimental synthesis and characterization.
With a high degree of structural complexity, this material is represented by numerous reported crystal structures across multiple databases. Its stability profile makes it a subject of interest for researchers investigating binary alloys and phase formation in metallic systems.
Key Properties
Cross-validated computational properties for CuSn, 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 CuSn. 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 CuSn, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -0.022 | — |
| — | — | 0.00 | 0.0000 | -0.073 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0092 | -17.787 | 8.13 |
| — | — | 0.00 | 0.1646 | 0.092 | — |
| — | — | 0.00 | 0.2193 | 0.147 | — |
| — | — | 0.00 | 0.2202 | 0.148 | — |
| — | — | 0.00 | 0.2267 | 0.154 | — |
| — | — | 0.00 | 0.2463 | 0.174 | — |
| — | — | 0.00 | 0.5026 | 0.430 | — |
| P63mc (No. 186) | hexagonal | — | — | — | 7.83 |
| P63/mmc (No. 194) | hexagonal | — | — | — | 7.87 |
| Pnma (No. 62) | orthorhombic | — | — | — | 7.54 |
Applications
Where CuSn is used.
Frequently Asked Questions
Common questions about CuSn, answered from cross-validated data.
What is CuSn?
CuSn is a metallic binary intermetallic compound that is theoretically stable and exhibits a wide variety of structural arrangements.
What is CuSn used for?
What is the band gap of CuSn?
Is CuSn a metal, semiconductor, or insulator?
Is CuSn thermodynamically stable?
What is the crystal structure of CuSn?
What is the density of CuSn?
How many polymorphs of CuSn are known?
What elements does CuSn contain?
Where does the data for CuSn come from?
How It Compares
As a binary intermetallic, CuSn serves as a fundamental reference point for understanding copper-tin interactions. It occupies a distinct space in alloy research where its near-hull stability highlights the delicate balance of phases possible within the copper-tin system.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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