ZnCrF5

ZnCrF5 is a metastable, insulating ternary fluoride compound composed of zinc, chromium, and fluorine.

CrFZn
Crystal structure of ZnCrF5
Ground-state structure · Materials Project
Overview

About ZnCrF5

ZnCrF5 is a complex fluoride compound characterized by its wide-band-gap insulating electronic profile. As a metastable phase, it represents a unique structural arrangement of zinc, chromium, and fluorine atoms that challenges standard synthesis pathways.

This material is of significant interest in solid-state chemistry due to its distinct coordination environment. Its insulating nature and metastable status make it a subject of ongoing investigation for researchers looking to understand stability limits in transition metal fluorides.

At a glance

Key Properties

Cross-validated computational properties for ZnCrF5, aggregated across 3 databases.

Band Gap

3.08–3.24 eV
Range across DFT structures

Energy Above Hull

0.043 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

9
3 databases, 2 space groups
Uses

Applications

Where ZnCrF5 is used.

Solid-state chemistry researchMaterials science explorationFundamental structural studies
Reference

Frequently Asked Questions

Common questions about ZnCrF5, answered from cross-validated data.

What is ZnCrF5?

ZnCrF5 is a metastable, insulating ternary fluoride compound composed of zinc, chromium, and fluorine.

More questions
What is ZnCrF5 used for?
ZnCrF5 is used in solid-state chemistry research, materials science exploration, and fundamental structural studies.
What is the band gap of ZnCrF5?
ZnCrF5 has a DFT-computed band gap of 3.08–3.24 eV across 9 reported structures.
Is ZnCrF5 a metal, semiconductor, or insulator?
With a wide band gap up to 3.24 eV it is an insulator / wide-band-gap material.
Is ZnCrF5 thermodynamically stable?
ZnCrF5 has a lowest energy above hull of 0.043 eV/atom (metastable).
How many polymorphs of ZnCrF5 are known?
9 structures of ZnCrF5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does ZnCrF5 contain?
ZnCrF5 contains Cr, F, and Zn (3 elements).
Where does the data for ZnCrF5 come from?
ZnCrF5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique fluoride compound, ZnCrF5 occupies a specialized niche in materials science where its metastability dictates its synthesis and handling requirements. Unlike more common, highly stable binary fluorides, this compound serves as an example of the structural diversity achievable within complex ternary fluoride systems.

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

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