TiOF2

TiOF2 is a metastable, wide-gap insulating oxyfluoride compound characterized by its complex structural arrangements.

FOTi
Crystal structure of TiOF2
Ground-state structure · Materials Project
Overview

About TiOF2

TiOF2 is a complex oxyfluoride compound that functions as a wide-gap insulator. Its electronic structure is defined by its insulating nature, which makes it a subject of interest for fundamental studies in materials science where dielectric properties are critical.

As a metastable phase, this compound represents a unique structural configuration within the titanium-oxygen-fluorine system. Its existence across multiple reported structures highlights the complexity of its synthesis and the potential for tuning its properties for specialized technological applications.

At a glance

Key Properties

Cross-validated computational properties for TiOF2, aggregated across 3 databases.

Band Gap

1.85–3.92 eV
Range across DFT structures

Energy Above Hull

0.051 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

19
3 databases, 7 space groups
Uses

Applications

Where TiOF2 is used.

Fundamental materials researchDielectric property studiesSolid-state chemistry investigations
Reference

Frequently Asked Questions

Common questions about TiOF2, answered from cross-validated data.

What is TiOF2?

TiOF2 is a metastable, wide-gap insulating oxyfluoride compound characterized by its complex structural arrangements.

More questions
What is TiOF2 used for?
TiOF2 is used in fundamental materials research, dielectric property studies, and solid-state chemistry investigations.
What is the band gap of TiOF2?
TiOF2 has a DFT-computed band gap of 1.85–3.92 eV across 19 reported structures.
Is TiOF2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.92 eV it is an insulator / wide-band-gap material.
Is TiOF2 thermodynamically stable?
TiOF2 has a lowest energy above hull of 0.051 eV/atom (metastable).
How many polymorphs of TiOF2 are known?
19 structures of TiOF2 are reported across 3 databases, spanning 7 distinct space groups.
What elements does TiOF2 contain?
TiOF2 contains F, O, and Ti (3 elements).
Where does the data for TiOF2 come from?
TiOF2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct oxyfluoride, TiOF2 occupies a specialized niche in materials science, serving as a representative example of metastable insulating phases that challenge conventional synthesis pathways.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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