S2N
Disulfur nitride is a binary inorganic compound composed of sulfur and nitrogen. It is primarily studied in the context of fundamental chemical research and as a precursor in the synthesis of more complex sulfur-nitrogen materials.
NS
Overview
Key Properties
Cross-validated computational properties for S2N, aggregated across 4 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.
1.44 eV
Range across DFT structures
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.
0.308 eV/atom
Best (lowest) across sources
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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
90
4 databases, 19 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| P42nm (No. 102) | tetragonal | 1.44 | 0.3079 | -8.091 | 1.73 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.15 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.94 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.56 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 4.50 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 2.56 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 2.44 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.91 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.66 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.98 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 4.87 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.14 |
Uses
Applications
Where S2N is used.
Chemical researchPrecursor for sulfur-nitrogen compounds
Reference
Frequently Asked Questions
Common questions about S2N, answered from cross-validated data.
What is S2N?
Disulfur nitride is a binary inorganic compound composed of sulfur and nitrogen. It is primarily studied in the context of fundamental chemical research and as a precursor in the synthesis of more complex sulfur-nitrogen materials.
More questions
What is S2N used for?
S2N is used in chemical research and precursor for sulfur-nitrogen compounds.
What is the band gap of S2N?
S2N has a DFT-computed band gap of 1.44 eV across 90 reported structures.
Is S2N a metal, semiconductor, or insulator?
With a band gap up to 1.44 eV it is a semiconductor.
Is S2N thermodynamically stable?
S2N has a lowest energy above hull of 0.308 eV/atom (above hull).
What is the crystal structure of S2N?
The lowest-energy reported polymorph of S2N is tetragonal symmetry, space group P42nm (No. 102).
What is the density of S2N?
The computed density of the ground-state structure of S2N is 1.73 g/cm³.
How many polymorphs of S2N are known?
90 structures of S2N are reported across 4 databases, spanning 19 distinct space groups.
What elements does S2N contain?
S2N contains N and S (2 elements).
Where does the data for S2N come from?
S2N data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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