CaFeF4

CaFeF4 is a metastable semiconducting fluoride compound of interest for its structural diversity in materials science research.

CaFFe
Crystal structure of CaFeF4
Ground-state structure · Materials Project
Overview

About CaFeF4

CaFeF4 is a complex fluoride compound characterized by its semiconducting electronic nature. As a metastable material, it represents a unique phase that offers researchers distinct insights into the structural chemistry of calcium-iron-fluorine systems.

Its existence across multiple reported structures highlights its versatility and the interest it generates within experimental and computational materials science. This compound serves as a valuable subject for studying phase stability and electronic properties in non-equilibrium fluoride frameworks.

At a glance

Key Properties

Cross-validated computational properties for CaFeF4, aggregated across 3 databases.

Band Gap

2.85 eV
Range across DFT structures

Energy Above Hull

0.056 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 2 space groups
Uses

Applications

Where CaFeF4 is used.

Materials science researchSolid-state chemistry studiesFundamental electronic property investigation
Reference

Frequently Asked Questions

Common questions about CaFeF4, answered from cross-validated data.

What is CaFeF4?

CaFeF4 is a metastable semiconducting fluoride compound of interest for its structural diversity in materials science research.

More questions
What is CaFeF4 used for?
CaFeF4 is used in materials science research, solid-state chemistry studies, and fundamental electronic property investigation.
What is the band gap of CaFeF4?
CaFeF4 has a DFT-computed band gap of 2.85 eV across 5 reported structures.
Is CaFeF4 a metal, semiconductor, or insulator?
With a band gap up to 2.85 eV it is a semiconductor.
Is CaFeF4 thermodynamically stable?
CaFeF4 has a lowest energy above hull of 0.056 eV/atom (metastable).
How many polymorphs of CaFeF4 are known?
5 structures of CaFeF4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does CaFeF4 contain?
CaFeF4 contains Ca, F, and Fe (3 elements).
Where does the data for CaFeF4 come from?
CaFeF4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized fluoride, CaFeF4 occupies a unique position in materials research, serving as a distinct example of a metastable semiconducting framework that challenges conventional stability paradigms in inorganic chemistry.

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

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