CsNiF3

CsNiF3 is a stable, wide-band-gap insulating compound composed of cesium, nickel, and fluorine.

CsFNi
Crystal structure of CsNiF3
Ground-state structure · Materials Project
Overview

About CsNiF3

CsNiF3 is a thermodynamically stable inorganic compound characterized by its insulating electronic nature. As a member of the fluoride family, it maintains a robust structural framework that has been documented across multiple crystallographic studies.

Its properties as a wide-band-gap material make it a subject of interest for researchers investigating specialized electronic and magnetic behaviors in crystalline solids. The compound remains a reliable reference point for structural stability within its class.

At a glance

Key Properties

Cross-validated computational properties for CsNiF3, aggregated across 3 databases.

Band Gap

4.39–5.36 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

15
3 databases, 2 space groups
Uses

Applications

Where CsNiF3 is used.

Solid-state researchCrystallographic studiesMaterials science characterization
Reference

Frequently Asked Questions

Common questions about CsNiF3, answered from cross-validated data.

What is CsNiF3?

CsNiF3 is a stable, wide-band-gap insulating compound composed of cesium, nickel, and fluorine.

More questions
What is CsNiF3 used for?
CsNiF3 is used in solid-state research, crystallographic studies, and materials science characterization.
What is the band gap of CsNiF3?
CsNiF3 has a DFT-computed band gap of 4.39–5.36 eV across 15 reported structures.
Is CsNiF3 a metal, semiconductor, or insulator?
With a wide band gap up to 5.36 eV it is an insulator / wide-band-gap material.
Is CsNiF3 thermodynamically stable?
Yes — CsNiF3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CsNiF3 are known?
15 structures of CsNiF3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does CsNiF3 contain?
CsNiF3 contains Cs, F, and Ni (3 elements).
Where does the data for CsNiF3 come from?
CsNiF3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct fluoride compound, CsNiF3 serves as a foundational example of stable, insulating ternary fluorides, providing a baseline for understanding the structural and electronic trends observed in similar complex halide systems.

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

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