SiS
Silicon monosulfide is a metastable semiconducting material composed of silicon and sulfur atoms.
About SiS
Silicon monosulfide is a metastable binary compound composed of silicon and sulfur. It exhibits semiconducting electronic character, positioning it as an intriguing subject for fundamental research into group 14-16 materials.
Due to its metastable nature, this compound is often studied for its structural complexity, with numerous reported configurations across various databases. Its role in materials science is primarily focused on understanding the bonding dynamics between silicon and chalcogen elements.
Key Properties
Cross-validated computational properties for SiS, 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 SiS. 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 SiS, 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. |
|---|---|---|---|---|---|
| Pmna (No. 53) | orthorhombic | 0.48 | 0.0868 | -8.879 | 0.63 |
| Pmna (No. 53) | orthorhombic | 0.66 | 0.1222 | -0.389 | — |
| — | — | 0.29 | 0.5699 | -0.076 | — |
| — | — | 0.29 | 0.5700 | -0.076 | — |
| — | — | 0.00 | 0.7464 | 0.101 | — |
| — | — | 0.00 | 0.9355 | 0.290 | — |
| — | — | 0.00 | 0.9566 | 0.311 | — |
| — | — | 0.00 | 0.9592 | 0.313 | — |
| P1 (No. 1) | triclinic | — | — | — | 2.44 |
| P1 (No. 1) | triclinic | — | — | — | 2.66 |
| P1 (No. 1) | triclinic | — | — | — | 2.00 |
| P1 (No. 1) | triclinic | — | — | — | 2.32 |
Applications
Where SiS is used.
Frequently Asked Questions
Common questions about SiS, answered from cross-validated data.
What is SiS?
Silicon monosulfide is a metastable semiconducting material composed of silicon and sulfur atoms.
What is SiS used for?
What is the band gap of SiS?
Is SiS a metal, semiconductor, or insulator?
Is SiS thermodynamically stable?
What is the crystal structure of SiS?
What is the density of SiS?
How many polymorphs of SiS are known?
What elements does SiS contain?
Where does the data for SiS come from?
How It Compares
As a metastable semiconductor, SiS represents a distinct phase within the silicon-sulfur binary system. While many silicon-based chalcogenides are highly stable, this specific stoichiometry offers a unique look at the structural landscape of the system, serving as an important reference point for researchers investigating the limits of silicon-sulfur bonding.
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.
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