SnF3

SnF3 is a semiconducting tin fluoride compound that is considered a viable candidate for laboratory synthesis due to its favorable thermodynamic stability.

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Crystal structure of SnF3 (cubic, Fm-3m (No. 225))
Ground-state structure · Materials Project
Overview

About SnF3

SnF3 is a semiconducting inorganic compound composed of tin and fluorine. Its electronic structure suggests potential utility in specialized electronic or optoelectronic applications where specific charge transport properties are required.

As a near-hull material, it is considered a promising candidate for experimental synthesis. The significant volume of reported structural data underscores its importance as a subject of ongoing investigation in solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for SnF3, aggregated across 3 databases.

Band Gap

1.80–2.72 eV
Range across DFT structures

Energy Above Hull

0.015 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

97
3 databases, 15 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for SnF3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fm-3m (No. 225)cubic2.720.0146-11.0653.55
P-1 (No. 2)triclinic1.800.0976-10.9824.01
Cmc21 (No. 36)Orthorhombic2.58
P-1 (No. 2)
P21/c (No. 14)Monoclinic5.06
P-1 (No. 2)Triclinic7.85
P1 (No. 1)Triclinic2.48
P-1 (No. 2)Triclinic5.92
Cmc21 (No. 36)Orthorhombic3.14
P1 (No. 1)Triclinic2.91
Pc (No. 7)Monoclinic3.81
P-1 (No. 2)Triclinic2.63
Uses

Applications

Where SnF3 is used.

Semiconductor researchSolid-state chemistry studiesMaterials science development
Reference

Frequently Asked Questions

Common questions about SnF3, answered from cross-validated data.

What is SnF3?

SnF3 is a semiconducting tin fluoride compound that is considered a viable candidate for laboratory synthesis due to its favorable thermodynamic stability.

More questions
What is SnF3 used for?
SnF3 is used in semiconductor research, solid-state chemistry studies, and materials science development.
What is the band gap of SnF3?
SnF3 has a DFT-computed band gap of 1.80–2.72 eV across 97 reported structures.
Is SnF3 a metal, semiconductor, or insulator?
With a band gap up to 2.72 eV it is a semiconductor.
Is SnF3 thermodynamically stable?
SnF3 has a lowest energy above hull of 0.015 eV/atom (near hull (likely stable)).
What is the crystal structure of SnF3?
The lowest-energy reported polymorph of SnF3 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of SnF3?
The computed density of the ground-state structure of SnF3 is 3.55 g/cm³.
How many polymorphs of SnF3 are known?
97 structures of SnF3 are reported across 3 databases, spanning 15 distinct space groups.
What elements does SnF3 contain?
SnF3 contains F and Sn (2 elements).
Where does the data for SnF3 come from?
SnF3 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a unique fluoride-based compound, SnF3 occupies a distinct position in the landscape of tin-based materials. While it lacks direct structural siblings in this specific dataset, its status as a near-hull phase highlights its relevance as a stable, synthesizable target for researchers exploring novel semiconducting inorganic frameworks.

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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