SnS2
tin disulfide · berndtite
Tin disulfide is a stable, layered semiconducting material used extensively in research for electronics and energy storage.
About tin disulfide
Tin disulfide is a thermodynamically stable compound that crystallizes in a layered structure. Its semiconducting nature makes it a subject of significant interest for researchers exploring thin-film electronics and advanced photovoltaic devices.
Due to its structural characteristics, this material is widely investigated for its potential in high-performance energy storage systems and sensing technologies. Its stability on the convex hull ensures it remains a robust candidate for practical electronic applications.
Key Properties
Cross-validated computational properties for tin disulfide, 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 SnS2. 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 SnS2, 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. |
|---|---|---|---|---|---|
| — | — | 1.67 | 0.0000 | -0.601 | — |
| P-3m1 (No. 164) | trigonal | 1.56 | 0.0000 | -14.079 | 4.17 |
| P-3m1 (No. 164) | trigonal | 1.22 | 0.0000 | -0.440 | — |
| — | — | 1.79 | 0.0002 | -0.600 | — |
| — | — | 1.48 | 0.0003 | -0.600 | — |
| P63mc (No. 186) | hexagonal | 1.49 | 0.0003 | -14.078 | 4.21 |
| P63mc (No. 186) | hexagonal | 1.10 | 0.0009 | -0.439 | — |
| — | — | 1.58 | 0.0010 | -0.600 | — |
| — | — | 1.47 | 0.0014 | -0.599 | — |
| — | — | 1.66 | 0.0020 | -0.599 | — |
| — | — | 1.36 | 0.0026 | -0.598 | — |
| Fd-3m (No. 227) | cubic | 1.20 | 0.0032 | -14.076 | 4.28 |
Synthesis Routes
Literature-extracted synthesis procedures targeting SnS2.
Applications
Where tin disulfide is used.
Frequently Asked Questions
Common questions about tin disulfide, answered from cross-validated data.
What is SnS2?
Tin disulfide is a stable, layered semiconducting material used extensively in research for electronics and energy storage.
What is SnS2 used for?
What is the band gap of SnS2?
Is SnS2 a metal, semiconductor, or insulator?
Is SnS2 thermodynamically stable?
What is the crystal structure of SnS2?
What is the density of SnS2?
How many polymorphs of SnS2 are known?
How is SnS2 synthesized?
What elements does SnS2 contain?
Where does the data for SnS2 come from?
How It Compares
As a prominent layered semiconductor, tin disulfide serves as a foundational reference point for studying metal dichalcogenides. It is recognized for its structural reliability and consistent electronic properties, which distinguish it as a highly studied material within the broader landscape of inorganic semiconductors.
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)
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