Sn2S3
Sn2S3 is a stable semiconducting compound formed from tin and sulfur that is widely investigated for its potential in electronic and energy technologies.
About Sn2S3
Sn2S3 is a semiconducting binary sulfide composed of tin and sulfur. As a thermodynamically stable phase residing on the convex hull, it represents a robust material choice for research into electronic and optoelectronic device architectures. Its structural diversity is highlighted by numerous reported configurations across multiple databases, reflecting significant interest from the materials science community. This compound serves as a critical subject for understanding the complex phase behavior of tin-sulfur systems. Its inherent stability and semiconducting nature make it a compelling candidate for thin-film technologies and energy conversion applications where consistent material performance is required.
Key Properties
Cross-validated computational properties for Sn2S3, 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.
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 Sn2S3. 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 Sn2S3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.78 | 0.0000 | -15.193 | 4.46 |
| Pnma (No. 62) | orthorhombic | 0.64 | 0.0000 | -0.494 | — |
| — | — | 0.73 | 0.0052 | -0.609 | — |
| Cm (No. 8) | monoclinic | — | — | — | 3.88 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.75 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.76 |
| P1 (No. 1) | triclinic | — | — | — | 4.22 |
| P1 (No. 1) | triclinic | — | — | — | 3.51 |
| P-1 (No. 2) | triclinic | — | — | — | 4.02 |
| C2 (No. 5) | monoclinic | — | — | — | 4.63 |
| Cm (No. 8) | monoclinic | — | — | — | 3.80 |
| P1 (No. 1) | triclinic | — | — | — | 6.12 |
Applications
Where Sn2S3 is used.
Frequently Asked Questions
Common questions about Sn2S3, answered from cross-validated data.
What is Sn2S3?
Sn2S3 is a stable semiconducting compound formed from tin and sulfur that is widely investigated for its potential in electronic and energy technologies.
What is Sn2S3 used for?
What is the band gap of Sn2S3?
Is Sn2S3 a metal, semiconductor, or insulator?
Is Sn2S3 thermodynamically stable?
What is the crystal structure of Sn2S3?
What is the density of Sn2S3?
How many polymorphs of Sn2S3 are known?
What elements does Sn2S3 contain?
Where does the data for Sn2S3 come from?
How It Compares
As a distinct binary sulfide, Sn2S3 occupies a unique position in the landscape of tin-based chalcogenides. Unlike more common binary phases that may exhibit limited stability, this compound is notable for its thermodynamic robustness, allowing it to maintain structural integrity under varied processing conditions.
Data sources & attribution
- 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)
- 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)
- 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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