SN

SN is a semiconducting binary compound of sulfur and nitrogen that is characterized by its high structural diversity and metastable nature.

NS
Crystal structure of SN (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About SN

SN is a binary compound composed of sulfur and nitrogen that exhibits semiconducting electronic characteristics. Due to its position above the thermodynamic hull, it is considered a metastable phase that presents significant interest for fundamental studies in chemical bonding and structural coordination. The material is notable for its high structural complexity, with hundreds of distinct configurations documented across scientific databases. This extensive structural variety makes it a subject of intrigue for researchers investigating the limits of phase stability and the formation of non-standard sulfur-nitrogen networks. While its inherent instability poses challenges for practical implementation, the compound serves as a critical reference point for understanding the energetic landscape of chalcogen-pnictogen systems.

At a glance

Key Properties

Cross-validated computational properties for SN, aggregated across 4 databases.

Band Gap

2.36–2.95 eV
Range across DFT structures

Energy Above Hull

0.363 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

259
4 databases, 33 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for SN, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic0.000.3631-8.2181.82
P21/c (No. 14)monoclinic2.360.3700-8.2111.84
Pbcn (No. 60)orthorhombic2.360.3703-8.2111.81
Pnma (No. 62)orthorhombic0.000.4811-8.1001.59
P21/c (No. 14)monoclinic2.950.5087-8.0731.87
P21 (No. 4)monoclinic0.000.5088-8.0731.64
P-1 (No. 2)triclinic2.700.5322-8.0492.00
P21 (No. 4)monoclinic0.000.5498-8.0321.89
P21 (No. 4)monoclinic0.000.7225-7.8591.72
P21/c (No. 14)monoclinic0.000.8090-7.7722.15
P4/nmm (No. 129)tetragonal0.001.1265-7.4553.17
P1 (No. 1)Triclinic2.38
Reference

Frequently Asked Questions

Common questions about SN, answered from cross-validated data.

What is SN?

SN is a semiconducting binary compound of sulfur and nitrogen that is characterized by its high structural diversity and metastable nature.

More questions
What is the band gap of SN?
SN has a DFT-computed band gap of 2.36–2.95 eV across 259 reported structures.
Is SN a metal, semiconductor, or insulator?
With a band gap up to 2.95 eV it is a semiconductor.
Is SN thermodynamically stable?
SN has a lowest energy above hull of 0.363 eV/atom (above hull).
What is the crystal structure of SN?
The lowest-energy reported polymorph of SN is monoclinic symmetry, space group P21/c (No. 14).
What is the density of SN?
The computed density of the ground-state structure of SN is 1.82 g/cm³.
How many polymorphs of SN are known?
259 structures of SN are reported across 4 databases, spanning 33 distinct space groups.
What elements does SN contain?
SN contains N and S (2 elements).
Where does the data for SN come from?
SN data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a unique binary system, SN occupies a distinct space in materials research where it serves as a primary subject for exploring the interplay between sulfur and nitrogen bonding without direct structural analogues in its immediate class.

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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