Rb3FeF6

Rb3FeF6 is a stable, wide-band-gap insulating fluoride compound characterized by its structural complexity.

FFeRb
Crystal structure of Rb3FeF6
Ground-state structure · Materials Project
Overview

About Rb3FeF6

Rb3FeF6 is a complex fluoride compound that exists as a thermodynamically stable phase, sitting securely on the convex hull. Its electronic structure is characterized by a wide band gap, classifying it as an insulator with significant potential for specialized material applications.

Due to its structural diversity, this compound has been documented across multiple databases, reflecting its importance in inorganic chemistry research. Its stability and insulating nature make it a compelling subject for studies involving fluoride-based materials and solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for Rb3FeF6, aggregated across 3 databases.

Band Gap

3.29–4.09 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

9
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about Rb3FeF6, answered from cross-validated data.

What is Rb3FeF6?

Rb3FeF6 is a stable, wide-band-gap insulating fluoride compound characterized by its structural complexity.

More questions
What is the band gap of Rb3FeF6?
Rb3FeF6 has a DFT-computed band gap of 3.29–4.09 eV across 9 reported structures.
Is Rb3FeF6 a metal, semiconductor, or insulator?
With a wide band gap up to 4.09 eV it is an insulator / wide-band-gap material.
Is Rb3FeF6 thermodynamically stable?
Yes — Rb3FeF6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Rb3FeF6 are known?
9 structures of Rb3FeF6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Rb3FeF6 contain?
Rb3FeF6 contains F, Fe, and Rb (3 elements).
Where does the data for Rb3FeF6 come from?
Rb3FeF6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct fluoride compound, Rb3FeF6 serves as a key reference point for understanding the structural behavior of ternary rubidium-iron-fluorine systems, providing a stable baseline for investigating similar complex fluoride frameworks.

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

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