F3N1Sn1

F3N1Sn1 is a metastable semiconducting compound containing tin, nitrogen, and fluorine that is primarily studied for its structural and electronic characteristics.

FNSn
Crystal structure of F3N1Sn1 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

About F3N1Sn1

F3N1Sn1 is a complex inorganic compound composed of tin, nitrogen, and fluorine. As a semiconducting material, it represents an interesting subject for fundamental research into the electronic behavior of multi-anion tin systems.

Due to its position above the thermodynamic hull, this material is considered metastable. While it has been identified in multiple structural configurations, its inherent instability makes it a challenging candidate for practical synthesis and long-term device integration.

At a glance

Key Properties

Cross-validated computational properties for F3N1Sn1, aggregated across 3 databases.

Band Gap

0.68–1.76 eV
Range across DFT structures

Energy Above Hull

0.758 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

9
3 databases, 7 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for F3N1Sn1, 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)triclinic1.760.7582-5.0624.30
R-3 (No. 148)trigonal0.681.2205-4.6003.09
C2 (No. 5)monoclinic0.001.2381-4.5823.26
P-3m1 (No. 164)trigonal0.001.2424-3.9474.39
Fm-3m (No. 225)cubic0.001.2675-3.9224.28
R-3 (No. 148)trigonal0.001.3398-4.4804.15
Pm-3m (No. 221)
Pm-3m (No. 221)
No. 0unknown1.39
Reference

Frequently Asked Questions

Common questions about F3N1Sn1, answered from cross-validated data.

What is F3N1Sn1?

F3N1Sn1 is a metastable semiconducting compound containing tin, nitrogen, and fluorine that is primarily studied for its structural and electronic characteristics.

More questions
What is the band gap of F3N1Sn1?
F3N1Sn1 has a DFT-computed band gap of 0.68–1.76 eV across 9 reported structures.
Is F3N1Sn1 a metal, semiconductor, or insulator?
With a band gap up to 1.76 eV it is a semiconductor.
Is F3N1Sn1 thermodynamically stable?
F3N1Sn1 has a lowest energy above hull of 0.758 eV/atom (above hull).
What is the crystal structure of F3N1Sn1?
The lowest-energy reported polymorph of F3N1Sn1 is triclinic symmetry, space group P-1 (No. 2).
What is the density of F3N1Sn1?
The computed density of the ground-state structure of F3N1Sn1 is 4.30 g/cm³.
How many polymorphs of F3N1Sn1 are known?
9 structures of F3N1Sn1 are reported across 3 databases, spanning 7 distinct space groups.
What elements does F3N1Sn1 contain?
F3N1Sn1 contains F, N, and Sn (3 elements).
Where does the data for F3N1Sn1 come from?
F3N1Sn1 data is cross-referenced from materials_project, aflow, cod.
Comparison

How It Compares

As a unique inorganic phase, F3N1Sn1 occupies a niche position in materials science where its electronic properties are dictated by the interplay of its constituent elements, though it lacks the structural stability found in more conventional, ground-state tin-based semiconductors.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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