TaNF2

TaNF2 is a semiconducting tantalum nitrogen fluoride that exists as a metastable phase within the landscape of inorganic compounds.

FNTa
Overview

About TaNF2

TaNF2 is a complex inorganic compound composed of tantalum, nitrogen, and fluorine. As a semiconducting material, it represents a unique intersection of transition metal chemistry and halide-nitride bonding, providing a specialized subject for solid-state research. Due to its position above the thermodynamic hull, TaNF2 is considered a metastable phase. Its existence across multiple reported structures highlights the intricate structural landscape of tantalum-based nitrogen fluorides, making it a target for synthesis studies aimed at stabilizing novel electronic materials.

At a glance

Key Properties

Cross-validated computational properties for TaNF2, aggregated across 3 databases.

Band Gap

1.18 eV
Range across DFT structures

Energy Above Hull

1.453 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

5
3 databases, 3 space groups
Uses

Applications

Where TaNF2 is used.

Fundamental materials researchSolid-state chemistry studiesExploratory synthesis of transition metal nitrogen fluorides
Reference

Frequently Asked Questions

Common questions about TaNF2, answered from cross-validated data.

What is TaNF2?

TaNF2 is a semiconducting tantalum nitrogen fluoride that exists as a metastable phase within the landscape of inorganic compounds.

More questions
What is TaNF2 used for?
TaNF2 is used in fundamental materials research, solid-state chemistry studies, and exploratory synthesis of transition metal nitrogen fluorides.
What is the band gap of TaNF2?
TaNF2 has a DFT-computed band gap of 1.18 eV across 5 reported structures.
Is TaNF2 a metal, semiconductor, or insulator?
With a band gap up to 1.18 eV it is a semiconductor.
Is TaNF2 thermodynamically stable?
TaNF2 has a lowest energy above hull of 1.453 eV/atom (above hull).
How many polymorphs of TaNF2 are known?
5 structures of TaNF2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does TaNF2 contain?
TaNF2 contains F, N, and Ta (3 elements).
Where does the data for TaNF2 come from?
TaNF2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a relatively rare ternary compound, TaNF2 occupies a distinct niche in materials science where the interplay between electronegative fluorine and nitrogen ligands dictates its electronic behavior. Unlike more conventional binary tantalum nitrides or fluorides, this compound serves as an example of the complex structural diversity possible when incorporating multiple anions into a transition metal framework.

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

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