LiSn
LiSn is a stable metallic alloy formed from lithium and tin that is frequently studied for its electrochemical and structural properties.
About LiSn
LiSn is a metallic binary compound composed of lithium and tin. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration within the lithium-tin system, reflecting a strong chemical affinity between these two elements.
Its metallic nature suggests high electrical conductivity, making it a subject of interest for electrochemical applications. The material is well-documented in structural databases, highlighting its significance in fundamental materials research and alloy development.
Key Properties
Cross-validated computational properties for LiSn, 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 LiSn. 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 LiSn, 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. |
|---|---|---|---|---|---|
| P2/m (No. 10) | monoclinic | 0.00 | 0.0000 | -0.393 | — |
| — | — | 0.00 | 0.0000 | -0.381 | — |
| P2/m (No. 10) | monoclinic | 0.00 | 0.0000 | -3.285 | 5.09 |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.0002 | -3.285 | 4.97 |
| — | — | 0.00 | 0.0070 | -0.374 | — |
| — | — | 0.00 | 0.0124 | -0.368 | — |
| — | — | 0.00 | 0.0291 | -0.351 | — |
| — | — | 0.00 | 0.0673 | -0.313 | — |
| — | — | 0.00 | 0.0787 | -0.302 | — |
| — | — | 0.00 | 0.3643 | -0.016 | — |
| — | — | 0.00 | 0.8394 | 0.459 | — |
| P-1 (No. 2) | triclinic | — | — | — | 3.35 |
Applications
Where LiSn is used.
Frequently Asked Questions
Common questions about LiSn, answered from cross-validated data.
What is LiSn?
LiSn is a stable metallic alloy formed from lithium and tin that is frequently studied for its electrochemical and structural properties.
What is LiSn used for?
What is the band gap of LiSn?
Is LiSn a metal, semiconductor, or insulator?
Is LiSn thermodynamically stable?
What is the crystal structure of LiSn?
How many polymorphs of LiSn are known?
What elements does LiSn contain?
Where does the data for LiSn come from?
How It Compares
As a primary binary phase in the lithium-tin system, LiSn serves as a fundamental reference point for understanding the complex phase behavior and structural diversity found in alkali-metal stannides.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- 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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