Co2Sn
Co2Sn is a metallic cobalt-tin intermetallic compound known for its structural diversity and metastable nature.
About Co2Sn
Co2Sn is a metallic intermetallic compound composed of cobalt and tin. Its electronic structure is characterized by a lack of a band gap, identifying it as a conductor that is frequently studied for its complex structural behavior in solid-state chemistry.
Despite its metallic nature, the compound is noted for being thermodynamically metastable. With numerous reported structural variations across multiple databases, it remains a focal point for researchers investigating phase stability and the formation of transition metal stannides.
Key Properties
Cross-validated computational properties for Co2Sn, aggregated across 6 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 Co2Sn. 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 Co2Sn, 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 | 0.1805 | 0.067 | — |
| — | — | 0.00 | 0.2188 | 0.105 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.2216 | -5.934 | 9.49 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.2221 | 0.153 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.2320 | 0.163 | — |
| — | — | 0.00 | 0.2717 | 0.158 | — |
| — | — | 0.00 | 0.3209 | 0.207 | — |
| — | — | 0.00 | 1.1403 | 1.026 | — |
| P-3m1 (No. 164) | trigonal | — | — | — | 7.96 |
| — | — | — | — | — | 8.08 |
| P1 (No. 1) | triclinic | — | — | — | 8.91 |
| P-1 (No. 2) | triclinic | — | — | — | 7.62 |
Applications
Where Co2Sn is used.
Frequently Asked Questions
Common questions about Co2Sn, answered from cross-validated data.
What is Co2Sn?
Co2Sn is a metallic cobalt-tin intermetallic compound known for its structural diversity and metastable nature.
What is Co2Sn used for?
What is the band gap of Co2Sn?
Is Co2Sn a metal, semiconductor, or insulator?
Is Co2Sn thermodynamically stable?
What is the crystal structure of Co2Sn?
What is the density of Co2Sn?
How many polymorphs of Co2Sn are known?
What elements does Co2Sn contain?
Where does the data for Co2Sn come from?
How It Compares
As a member of the cobalt-tin binary system, Co2Sn represents a unique structural configuration that sits outside the ground-state stability of the phase diagram, highlighting the intricate interplay between cobalt and tin atoms in non-equilibrium conditions.
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.
- omat24 — Data from Meta Open Materials 2024 (OMat24), Meta FAIR. Cite: Barroso-Luque et al., arXiv:2410.12771 (2024). (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)
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