Na2UI6

Na2UI6 is a stable, semiconducting ternary iodide compound containing sodium and uranium.

INaU
Crystal structure of Na2UI6
Ground-state structure · Materials Project
Overview

About Na2UI6

Na2UI6 is a thermodynamically stable inorganic compound composed of sodium, uranium, and iodine. As a member of the iodide family, it exhibits semiconducting electronic characteristics, making it a subject of interest for fundamental solid-state chemistry studies.

With multiple reported structural variations across major databases, this compound demonstrates significant structural diversity. Its stability on the convex hull suggests it is a well-defined phase, providing a reliable platform for investigating the interplay between heavy actinide elements and halide frameworks.

At a glance

Key Properties

Cross-validated computational properties for Na2UI6, aggregated across 3 databases.

Band Gap

0.09–0.38 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

12
3 databases, 5 space groups
Uses

Applications

Where Na2UI6 is used.

Solid-state chemistry researchActinide materials development
Reference

Frequently Asked Questions

Common questions about Na2UI6, answered from cross-validated data.

What is Na2UI6?

Na2UI6 is a stable, semiconducting ternary iodide compound containing sodium and uranium.

More questions
What is Na2UI6 used for?
Na2UI6 is used in solid-state chemistry research and actinide materials development.
What is the band gap of Na2UI6?
Na2UI6 has a DFT-computed band gap of 0.09–0.38 eV across 12 reported structures.
Is Na2UI6 a metal, semiconductor, or insulator?
With a band gap up to 0.38 eV it is a semiconductor.
Is Na2UI6 thermodynamically stable?
Yes — Na2UI6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Na2UI6 are known?
12 structures of Na2UI6 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Na2UI6 contain?
Na2UI6 contains I, Na, and U (3 elements).
Where does the data for Na2UI6 come from?
Na2UI6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct iodide-based compound, Na2UI6 occupies a specialized niche within actinide halide chemistry. While it shares the general characteristics of metal-iodide systems, its specific stoichiometry and electronic profile distinguish it from more common binary or simple ternary halides, marking it as a unique candidate for further exploration in materials science.

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

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