ZrNF

ZrNF is a thermodynamically stable semiconducting material composed of zirconium, nitrogen, and fluorine.

FNZr
Crystal structure of ZrNF
Ground-state structure · Materials Project
Overview

About ZrNF

ZrNF is a distinct inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration that maintains integrity under standard conditions. Its unique composition of zirconium, nitrogen, and fluorine positions it as a subject of interest for fundamental materials science exploration. The compound is well-documented in scientific literature, with numerous reported structures across various databases, highlighting its significance in structural chemistry. Researchers study ZrNF to understand the interplay between its anionic components and the transition metal center, which dictates its electronic behavior. This stability makes it a reliable candidate for investigations into functional materials where predictable performance is essential.

At a glance

Key Properties

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

Band Gap

2.06 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

20
3 databases, 8 space groups
Uses

Applications

Where ZrNF is used.

Materials science researchSemiconductor developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

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

What is ZrNF?

ZrNF is a thermodynamically stable semiconducting material composed of zirconium, nitrogen, and fluorine.

More questions
What is ZrNF used for?
ZrNF is used in materials science research, semiconductor development, and solid-state chemistry studies.
What is the band gap of ZrNF?
ZrNF has a DFT-computed band gap of 2.06 eV across 20 reported structures.
Is ZrNF a metal, semiconductor, or insulator?
With a band gap up to 2.06 eV it is a semiconductor.
Is ZrNF thermodynamically stable?
Yes — ZrNF sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of ZrNF are known?
20 structures of ZrNF are reported across 3 databases, spanning 8 distinct space groups.
What elements does ZrNF contain?
ZrNF contains F, N, and Zr (3 elements).
Where does the data for ZrNF come from?
ZrNF data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone entry in this specific structural category, ZrNF serves as a primary reference point for studying the properties of zirconium-based nitrogen-fluorine systems. Its position on the convex hull provides a benchmark for stability against which potential derivative or related compounds can be measured in future studies.

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

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