NbOF3

NbOF3 is a thermodynamically stable, insulating oxyfluoride compound known for its diverse structural configurations.

FNbO
Crystal structure of NbOF3
Ground-state structure · Materials Project
Overview

About NbOF3

NbOF3 is a distinct inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a member of the oxyfluoride family, it occupies a secure position on the convex hull, indicating robust structural integrity under standard conditions. Its structural complexity is highlighted by a significant number of reported configurations across major materials databases, reflecting its versatility in crystalline arrangements. This compound serves as a key subject for researchers investigating the interplay between oxygen and fluorine coordination in transition metal lattices. Its stable electronic profile makes it a compelling candidate for fundamental studies in dielectric materials and specialized chemical synthesis where precise coordination environments are required.

At a glance

Key Properties

Cross-validated computational properties for NbOF3, aggregated across 3 databases.

Band Gap

2.08–4.22 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

26
3 databases, 8 space groups
Uses

Applications

Where NbOF3 is used.

Materials science researchDielectric material studiesChemical synthesis precursor
Reference

Frequently Asked Questions

Common questions about NbOF3, answered from cross-validated data.

What is NbOF3?

NbOF3 is a thermodynamically stable, insulating oxyfluoride compound known for its diverse structural configurations.

More questions
What is NbOF3 used for?
NbOF3 is used in materials science research, dielectric material studies, and chemical synthesis precursor.
What is the band gap of NbOF3?
NbOF3 has a DFT-computed band gap of 2.08–4.22 eV across 26 reported structures.
Is NbOF3 a metal, semiconductor, or insulator?
With a wide band gap up to 4.22 eV it is an insulator / wide-band-gap material.
Is NbOF3 thermodynamically stable?
Yes — NbOF3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NbOF3 are known?
26 structures of NbOF3 are reported across 3 databases, spanning 8 distinct space groups.
What elements does NbOF3 contain?
NbOF3 contains F, Nb, and O (3 elements).
Where does the data for NbOF3 come from?
NbOF3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable oxyfluoride, NbOF3 represents a well-defined structural archetype within its chemical class, serving as a primary reference point for understanding the stability of transition metal oxyfluoride systems.

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

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