SIN

This compound is a binary inorganic substance composed of sulfur and nitrogen. It is primarily studied for its fundamental chemical properties and potential role as a precursor in the synthesis of specialized sulfur-nitrogen materials.

INS
Overview

Key Properties

Cross-validated computational properties for SIN, aggregated across 3 databases.

Band Gap

1.44–1.63 eV
Range across DFT structures

Energy Above Hull

0.634 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

15
3 databases, 7 space groups
Crystallography

Reported Structures

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

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-1 (No. 2)triclinic1.630.6335-4.2702.88
P-1 (No. 2)triclinic1.440.6433-4.2603.28
Pm (No. 6)Monoclinic4.01
P1 (No. 1)Triclinic3.69
P1 (No. 1)Triclinic3.76
P4mm (No. 99)Tetragonal4.70
P21 (No. 4)Monoclinic4.98
Pmn21 (No. 31)Orthorhombic7.21
P21 (No. 4)Monoclinic4.00
Pm (No. 6)Monoclinic3.94
P4mm (No. 99)
Pm (No. 6)Monoclinic4.07
Uses

Applications

Where SIN is used.

Chemical researchPrecursor for material synthesis
Reference

Frequently Asked Questions

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

What is SIN?

This compound is a binary inorganic substance composed of sulfur and nitrogen. It is primarily studied for its fundamental chemical properties and potential role as a precursor in the synthesis of specialized sulfur-nitrogen materials.

More questions
What is SIN used for?
SIN is used in chemical research and precursor for material synthesis.
What is the band gap of SIN?
SIN has a DFT-computed band gap of 1.44–1.63 eV across 15 reported structures.
Is SIN a metal, semiconductor, or insulator?
With a band gap up to 1.63 eV it is a semiconductor.
Is SIN thermodynamically stable?
SIN has a lowest energy above hull of 0.634 eV/atom (above hull).
What is the crystal structure of SIN?
The lowest-energy reported polymorph of SIN is triclinic symmetry, space group P-1 (No. 2).
What is the density of SIN?
The computed density of the ground-state structure of SIN is 2.88 g/cm³.
How many polymorphs of SIN are known?
15 structures of SIN are reported across 3 databases, spanning 7 distinct space groups.
What elements does SIN contain?
SIN contains I, N, and S (3 elements).
Where does the data for SIN come from?
SIN 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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