S2N
S2N is a semiconducting binary compound of sulfur and nitrogen that is generally considered thermodynamically unstable.
About S2N
S2N is a binary nitrogen-sulfur compound that exhibits semiconducting electronic behavior. Despite its relatively high structural data availability across multiple databases, it is characterized as thermodynamically unstable, existing above the convex hull of stable phases. This suggests that while it can be modeled or synthesized under specific conditions, it does not represent a ground-state configuration. Its role remains primarily of interest in fundamental materials research rather than large-scale industrial deployment.
Key Properties
Cross-validated computational properties for S2N, 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 S2N. 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 S2N, 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. |
|---|---|---|---|---|---|
| — | — | 1.49 | 0.2452 | 0.184 | — |
| P42nm (No. 102) | tetragonal | 1.70 | 0.3079 | -8.091 | 1.73 |
| P42nm (No. 102) | tetragonal | 1.30 | 0.4168 | 0.400 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.6292 | 0.612 | — |
| P2/m (No. 10) | monoclinic | 0.00 | 0.6701 | 0.653 | — |
| — | — | 0.00 | 1.3161 | 1.255 | — |
| P6/mmm (No. 191) | hexagonal | 0.00 | 1.8608 | 1.844 | — |
| — | — | 0.00 | 1.9821 | 1.921 | — |
| — | — | 0.00 | 2.3894 | 2.329 | — |
| P-1 (No. 2) | triclinic | — | — | — | 2.81 |
| P1 (No. 1) | triclinic | — | — | — | 2.72 |
| P1 (No. 1) | triclinic | — | — | — | 5.84 |
Applications
Where S2N is used.
Frequently Asked Questions
Common questions about S2N, answered from cross-validated data.
What is S2N?
S2N is a semiconducting binary compound of sulfur and nitrogen that is generally considered thermodynamically unstable.
What is S2N used for?
What is the band gap of S2N?
Is S2N a metal, semiconductor, or insulator?
Is S2N thermodynamically stable?
What is the crystal structure of S2N?
What is the density of S2N?
How many polymorphs of S2N are known?
What elements does S2N contain?
Where does the data for S2N come from?
How It Compares
As a unique nitrogen-sulfur binary phase, S2N occupies a distinct position in materials science where its metastability makes it a subject of significant theoretical curiosity. Unlike more common, stable binary chalcogenides, this compound serves as a case study for exploring the limits of structural stability in non-metal systems.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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