S3N
S3N is a semiconducting binary compound of sulfur and nitrogen that exists in a metastable state.
About S3N
S3N is a binary inorganic compound composed of sulfur and nitrogen. As a semiconducting material, it represents a unique intersection of chalcogen and pnictogen chemistry, though it is characterized by thermodynamic instability relative to the ground state.
Due to its position above the stability hull, this compound is primarily of interest in fundamental research regarding sulfur-nitrogen bonding motifs. Its complex structural landscape, evidenced by numerous reported configurations, makes it a subject of study for understanding metastable phases in non-metal systems.
Key Properties
Cross-validated computational properties for S3N, 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 S3N, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 1.67 | 0.2589 | -8.049 | 1.78 |
| Pnma (No. 62) | orthorhombic | 0.57 | 0.3513 | -7.956 | 1.64 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.21 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.50 |
| No. 0 | unknown | — | — | — | 0.38 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.77 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.54 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.40 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.71 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.37 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.09 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 2.22 |
Frequently Asked Questions
Common questions about S3N, answered from cross-validated data.
What is S3N?
S3N is a semiconducting binary compound of sulfur and nitrogen that exists in a metastable state.
What is the band gap of S3N?
Is S3N a metal, semiconductor, or insulator?
Is S3N thermodynamically stable?
What is the crystal structure of S3N?
What is the density of S3N?
How many polymorphs of S3N are known?
What elements does S3N contain?
Where does the data for S3N come from?
How It Compares
As a standalone entry in this specific chemical space, S3N serves as a primary example of the structural diversity found in sulfur-nitrogen systems, illustrating the challenges of synthesizing and stabilizing compounds that exist in high-energy states.
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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