TaO2F

TaO2F is a metastable, semiconducting oxyfluoride compound known for its structural diversity and interest in solid-state research.

FOTa
Crystal structure of TaO2F
Ground-state structure · Materials Project
Overview

About TaO2F

TaO2F is a complex inorganic oxyfluoride characterized by its semiconducting electronic nature. As a metastable compound, it represents a specialized area of study for researchers interested in phase stability and structural diversity within tantalum-based systems.

With numerous reported structures across multiple databases, this compound is a subject of significant interest for those investigating how anionic substitution influences material properties. Its ability to adopt various configurations makes it a compelling candidate for fundamental studies in solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for TaO2F, aggregated across 3 databases.

Band Gap

1.51–2.05 eV
Range across DFT structures

Energy Above Hull

0.070 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

20
3 databases, 5 space groups
Uses

Applications

Where TaO2F is used.

Solid-state chemistry researchMaterials science explorationAdvanced electronic material development
Reference

Frequently Asked Questions

Common questions about TaO2F, answered from cross-validated data.

What is TaO2F?

TaO2F is a metastable, semiconducting oxyfluoride compound known for its structural diversity and interest in solid-state research.

More questions
What is TaO2F used for?
TaO2F is used in solid-state chemistry research, materials science exploration, and advanced electronic material development.
What is the band gap of TaO2F?
TaO2F has a DFT-computed band gap of 1.51–2.05 eV across 20 reported structures.
Is TaO2F a metal, semiconductor, or insulator?
With a band gap up to 2.05 eV it is a semiconductor.
Is TaO2F thermodynamically stable?
TaO2F has a lowest energy above hull of 0.070 eV/atom (metastable).
How many polymorphs of TaO2F are known?
20 structures of TaO2F are reported across 3 databases, spanning 5 distinct space groups.
What elements does TaO2F contain?
TaO2F contains F, O, and Ta (3 elements).
Where does the data for TaO2F come from?
TaO2F data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique oxyfluoride, TaO2F occupies a distinct niche in materials science where the interplay between oxygen and fluorine coordination dictates its electronic behavior. Unlike simpler binary oxides, its metastable character highlights the delicate balance required to stabilize such complex anionic frameworks.

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

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