S2NO
S2NO is an unstable, semiconducting compound composed of nitrogen, sulfur, and oxygen atoms.
About S2NO
S2NO is a complex nitrogen-sulfur-oxygen compound that exhibits semiconducting electronic behavior. Due to its position relative to the thermodynamic ground state, it is considered an unstable material, representing a challenging subject for experimental synthesis and structural characterization.
Despite its instability, the compound has been identified across multiple structural databases, indicating significant interest in its potential configurations. It remains a subject of theoretical investigation for researchers exploring the limits of nitrogen-sulfur-oxygen chemistry.
Key Properties
Cross-validated computational properties for S2NO, 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 S2NO. 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 S2NO, 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. |
|---|---|---|---|---|---|
| — | — | 2.02 | 0.2086 | -0.397 | — |
| P-1 (No. 2) | triclinic | 1.82 | 0.2809 | -0.137 | — |
| P-1 (No. 2) | triclinic | 2.28 | 0.2829 | -5.678 | 1.72 |
| P-1 (No. 2) | triclinic | — | — | — | 1.74 |
| P-1 (No. 2) | triclinic | — | — | — | 1.72 |
| P-1 (No. 2) | triclinic | — | — | — | 1.80 |
| Cm (No. 8) | monoclinic | — | — | — | 4.48 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.02 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.51 |
Frequently Asked Questions
Common questions about S2NO, answered from cross-validated data.
What is S2NO?
S2NO is an unstable, semiconducting compound composed of nitrogen, sulfur, and oxygen atoms.
What is the band gap of S2NO?
Is S2NO a metal, semiconductor, or insulator?
Is S2NO thermodynamically stable?
What is the crystal structure of S2NO?
How many polymorphs of S2NO are known?
What elements does S2NO contain?
Where does the data for S2NO come from?
How It Compares
As an unclassified material with limited stability, S2NO occupies a unique niche in chemical research. Without established structural siblings, its behavior is primarily defined by its tendency to exist as a metastable phase, distinguishing it from more robust, thermodynamically favored compounds.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze S2NO in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →