CaCrF5

CaCrF5 is a stable, insulating fluoride compound used primarily in fundamental materials research.

CaCrF
Crystal structure of CaCrF5
Ground-state structure · Materials Project
Overview

About CaCrF5

CaCrF5 is a chemically distinct fluoride compound characterized by its insulating electronic nature. As a thermodynamically stable material located on the convex hull, it represents a robust structural configuration within its chemical system. Its stability makes it a subject of interest for researchers investigating the fundamental properties of complex metal fluorides. The material has been documented across multiple structural databases, reflecting a significant level of scientific interest in its crystalline arrangement. It is primarily utilized in academic and materials research settings to explore the behavior of wide-gap insulating systems and their potential for specialized electronic or optical applications.

At a glance

Key Properties

Cross-validated computational properties for CaCrF5, aggregated across 3 databases.

Band Gap

3.14–3.23 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

10
3 databases, 3 space groups
Uses

Applications

Where CaCrF5 is used.

Materials science researchSolid-state chemistry studiesFundamental electronic property investigation
Reference

Frequently Asked Questions

Common questions about CaCrF5, answered from cross-validated data.

What is CaCrF5?

CaCrF5 is a stable, insulating fluoride compound used primarily in fundamental materials research.

More questions
What is CaCrF5 used for?
CaCrF5 is used in materials science research, solid-state chemistry studies, and fundamental electronic property investigation.
What is the band gap of CaCrF5?
CaCrF5 has a DFT-computed band gap of 3.14–3.23 eV across 10 reported structures.
Is CaCrF5 a metal, semiconductor, or insulator?
With a wide band gap up to 3.23 eV it is an insulator / wide-band-gap material.
Is CaCrF5 thermodynamically stable?
Yes — CaCrF5 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CaCrF5 are known?
10 structures of CaCrF5 are reported across 3 databases, spanning 3 distinct space groups.
What elements does CaCrF5 contain?
CaCrF5 contains Ca, Cr, and F (3 elements).
Where does the data for CaCrF5 come from?
CaCrF5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable fluoride, CaCrF5 serves as a foundational reference point for understanding the structural diversity and chemical behavior of complex calcium-chromium-fluorine systems.

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

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