Na4I2O

Na4I2O is a thermodynamically stable, semiconducting inorganic compound that demonstrates complex structural diversity.

INaO
Crystal structure of Na4I2O
Ground-state structure · Materials Project
Overview

About Na4I2O

Na4I2O is a distinct inorganic compound characterized by its semiconducting electronic nature. As a material that resides on the convex hull, it exhibits notable thermodynamic stability, marking it as a significant subject for structural analysis within its chemical system.

With multiple reported structures across various databases, this compound serves as a valuable case study for researchers investigating complex sodium-iodine-oxygen frameworks. Its stability and electronic properties make it a compelling candidate for further exploration in solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for Na4I2O, aggregated across 3 databases.

Band Gap

2.21 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about Na4I2O, answered from cross-validated data.

What is Na4I2O?

Na4I2O is a thermodynamically stable, semiconducting inorganic compound that demonstrates complex structural diversity.

More questions
What is the band gap of Na4I2O?
Na4I2O has a DFT-computed band gap of 2.21 eV across 5 reported structures.
Is Na4I2O a metal, semiconductor, or insulator?
With a band gap up to 2.21 eV it is a semiconductor.
Is Na4I2O thermodynamically stable?
Yes — Na4I2O sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Na4I2O are known?
5 structures of Na4I2O are reported across 3 databases, spanning 1 distinct space group.
What elements does Na4I2O contain?
Na4I2O contains I, Na, and O (3 elements).
Where does the data for Na4I2O come from?
Na4I2O data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique compound within its specific chemical system, Na4I2O serves as a fundamental reference point for understanding the interplay between alkali metals, halogens, and oxygen in stable crystalline arrangements.

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

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