S3N2
S3N2 is a semiconducting binary compound of sulfur and nitrogen that exists in a metastable state.
About S3N2
S3N2 is a sulfur-nitrogen compound characterized by its semiconducting electronic nature. As a member of the sulfur-nitrogen binary system, it represents a complex arrangement of atoms that has been the subject of significant structural investigation across various experimental databases.
Due to its position above the thermodynamic hull, this compound is considered metastable, which makes it a fascinating subject for studies in synthetic inorganic chemistry. Its unique electronic properties and structural diversity continue to provide insights into the bonding behaviors of nitrogen-sulfur networks.
Key Properties
Cross-validated computational properties for S3N2, 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.
Reported Structures
Lowest-energy structures reported for S3N2, 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. |
|---|---|---|---|---|---|
| Pmn21 (No. 31) | orthorhombic | 1.98 | 0.4450 | -8.027 | 0.45 |
| Pmn21 (No. 31) | orthorhombic | 1.64 | 0.4459 | -8.026 | 2.12 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.35 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.32 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.42 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 2.85 |
| No. 0 | unknown | — | — | — | 0.28 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 2.64 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 2.82 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.81 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.33 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.56 |
Applications
Where S3N2 is used.
Frequently Asked Questions
Common questions about S3N2, answered from cross-validated data.
What is S3N2?
S3N2 is a semiconducting binary compound of sulfur and nitrogen that exists in a metastable state.
What is S3N2 used for?
What is the band gap of S3N2?
Is S3N2 a metal, semiconductor, or insulator?
Is S3N2 thermodynamically stable?
What is the crystal structure of S3N2?
What is the density of S3N2?
How many polymorphs of S3N2 are known?
What elements does S3N2 contain?
Where does the data for S3N2 come from?
How It Compares
As a distinct binary sulfur-nitrogen species, S3N2 occupies a specialized niche in inorganic chemistry. Unlike more common, highly stable sulfur-nitrogen compounds, this material is noted for its metastable character, highlighting the intricate balance of forces required to stabilize such nitrogen-rich sulfur frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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