TiNF

TiNF is a semiconducting titanium nitrogen fluoride compound that is theoretically stable enough to be a target for experimental synthesis.

FNTi
Crystal structure of TiNF
Ground-state structure · Materials Project
Overview

About TiNF

TiNF is a complex inorganic compound composed of titanium, nitrogen, and fluorine. As a semiconducting material, it represents an intriguing intersection of transition metal chemistry and halide-nitride bonding, offering a unique electronic landscape for potential functional applications.

Because it is situated near the thermodynamic hull, TiNF is considered a prime candidate for experimental synthesis. Its structural diversity, supported by multiple reported configurations across materials databases, suggests a rich landscape of potential phases that could be harnessed in future materials design.

At a glance

Key Properties

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

Band Gap

0.66–1.31 eV
Range across DFT structures

Energy Above Hull

0.023 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

17
3 databases, 7 space groups
Uses

Applications

Where TiNF is used.

Materials science researchSemiconductor developmentSolid-state chemistry
Reference

Frequently Asked Questions

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

What is TiNF?

TiNF is a semiconducting titanium nitrogen fluoride compound that is theoretically stable enough to be a target for experimental synthesis.

More questions
What is TiNF used for?
TiNF is used in materials science research, semiconductor development, and solid-state chemistry.
What is the band gap of TiNF?
TiNF has a DFT-computed band gap of 0.66–1.31 eV across 17 reported structures.
Is TiNF a metal, semiconductor, or insulator?
With a band gap up to 1.31 eV it is a semiconductor.
Is TiNF thermodynamically stable?
TiNF has a lowest energy above hull of 0.023 eV/atom (near hull (likely stable)).
How many polymorphs of TiNF are known?
17 structures of TiNF are reported across 3 databases, spanning 7 distinct space groups.
What elements does TiNF contain?
TiNF contains F, N, and Ti (3 elements).
Where does the data for TiNF come from?
TiNF data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique titanium-based semiconducting compound, TiNF occupies a specialized niche in materials science. Without direct structural siblings in this specific class, it serves as a distinct point of study for understanding how nitrogen and fluorine coordination influences the electronic properties of titanium-based frameworks.

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

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