Li3RhF6

Li3RhF6 is a metastable, semiconducting fluoride material containing rhodium that is studied for its unique structural and electronic properties.

Crystal structure of Li3RhF6
Ground-state structure · Materials Project
Overview

About Li3RhF6

Li3RhF6 is a semiconducting fluoride compound that represents a specialized entry within the broader category of platinum-group alloy catalysts. Its existence as a metastable phase highlights the complex synthesis pathways required to stabilize such complex inorganic frameworks.

This material is primarily of interest to researchers investigating the electronic behavior of transition metal fluorides. By exploring its structural diversity, scientists aim to better understand the catalytic potential and chemical stability of rhodium-based systems in advanced material applications.

At a glance

Key Properties

Cross-validated computational properties for Li3RhF6, aggregated across 3 databases.

Band Gap

1.66–1.90 eV
Range across DFT structures

Energy Above Hull

0.097 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

13
3 databases, 2 space groups
Uses

Applications

Where Li3RhF6 is used.

Materials science researchCatalysis studiesElectronic property investigation
Reference

Frequently Asked Questions

Common questions about Li3RhF6, answered from cross-validated data.

What is Li3RhF6?

Li3RhF6 is a metastable, semiconducting fluoride material containing rhodium that is studied for its unique structural and electronic properties.

More questions
What is Li3RhF6 used for?
Li3RhF6 is used in materials science research, catalysis studies, and electronic property investigation.
What is the band gap of Li3RhF6?
Li3RhF6 has a DFT-computed band gap of 1.66–1.90 eV across 13 reported structures.
Is Li3RhF6 a metal, semiconductor, or insulator?
With a band gap up to 1.90 eV it is a semiconductor.
Is Li3RhF6 thermodynamically stable?
Li3RhF6 has a lowest energy above hull of 0.097 eV/atom (metastable).
How many polymorphs of Li3RhF6 are known?
13 structures of Li3RhF6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li3RhF6 contain?
Li3RhF6 contains F, Li, and Rh (3 elements).
Where does the data for Li3RhF6 come from?
Li3RhF6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Unlike more conventional metallic platinum-group alloys such as LaRh or GeRu, Li3RhF6 incorporates fluorine, which fundamentally alters its electronic character from metallic to semiconducting. While its siblings often function as robust catalysts in industrial processes, this compound serves as a distinct, metastable structural study within the class.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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