SnS
tin monosulfide · herzenbergite
SnS is a stable, semiconducting tin sulfide compound widely studied for its potential in optoelectronics and sustainable energy technologies.
About tin monosulfide
SnS is a binary chalcogenide that exists as a thermodynamically stable phase on the convex hull. Its semiconducting electronic character makes it a subject of significant interest for researchers investigating sustainable and earth-abundant materials for energy conversion technologies.
With a vast number of reported structures across various databases, this compound is highly data-rich and well-characterized. Its structural versatility and favorable electronic properties position it as a promising candidate for thin-film applications where performance and material availability are critical.
Key Properties
Cross-validated computational properties for tin monosulfide, 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 SnS. 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 SnS, 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 | 1.02 | 0.0000 | -0.560 | — |
| — | — | 0.91 | 0.0000 | -0.633 | — |
| Pnma (No. 62) | orthorhombic | 0.90 | 0.0000 | -16.862 | 4.90 |
| — | — | 1.40 | 0.0041 | -0.629 | — |
| P21/m (No. 11) | monoclinic | 1.00 | 0.0135 | -0.546 | — |
| — | — | 0.41 | 0.0147 | -0.619 | — |
| Cmcm (No. 63) | orthorhombic | 0.51 | 0.0155 | -0.544 | — |
| Aem2 (No. 39) | orthorhombic | 0.74 | 0.0170 | -0.543 | — |
| Cmcm (No. 63) | orthorhombic | 0.31 | 0.0285 | -16.834 | 5.07 |
| Fm-3m (No. 225) | cubic | 0.44 | 0.0387 | -0.521 | — |
| — | — | 0.50 | 0.0426 | -0.591 | — |
| — | — | 0.23 | 0.0437 | -0.590 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting SnS.
Applications
Where tin monosulfide is used.
Frequently Asked Questions
Common questions about tin monosulfide, answered from cross-validated data.
What is SnS?
SnS is a stable, semiconducting tin sulfide compound widely studied for its potential in optoelectronics and sustainable energy technologies.
What is SnS used for?
What is the band gap of SnS?
Is SnS a metal, semiconductor, or insulator?
Is SnS thermodynamically stable?
What is the crystal structure of SnS?
How many polymorphs of SnS are known?
How is SnS synthesized?
What elements does SnS contain?
Where does the data for SnS come from?
How It Compares
As a standalone material of interest, SnS represents a fundamental building block in the study of group 14-16 semiconductors. Its stability and well-documented structural landscape provide a reliable baseline for developing advanced electronic components compared to more complex or less stable chalcogenide systems.
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)
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