I4O2Ta2

I4O2Ta2 is a stable, semiconducting inorganic compound containing tantalum, oxygen, and iodine.

IOTa
Crystal structure of I4O2Ta2
Ground-state structure · Materials Project
Overview

About I4O2Ta2

I4O2Ta2 is a distinct inorganic compound composed of tantalum, oxygen, and iodine. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within its chemical system.

This material exhibits semiconducting electronic characteristics, making it an interesting candidate for specialized electronic or optoelectronic research. Its structural integrity suggests it may serve as a foundational building block for complex tantalum-based materials.

At a glance

Key Properties

Cross-validated computational properties for I4O2Ta2, aggregated across 3 databases.

Band Gap

0.89 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

4
3 databases, 2 space groups
Uses

Applications

Where I4O2Ta2 is used.

Solid-state researchSemiconductor materials development
Reference

Frequently Asked Questions

Common questions about I4O2Ta2, answered from cross-validated data.

What is I4O2Ta2?

I4O2Ta2 is a stable, semiconducting inorganic compound containing tantalum, oxygen, and iodine.

More questions
What is I4O2Ta2 used for?
I4O2Ta2 is used in solid-state research and semiconductor materials development.
What is the band gap of I4O2Ta2?
I4O2Ta2 has a DFT-computed band gap of 0.89 eV across 4 reported structures.
Is I4O2Ta2 a metal, semiconductor, or insulator?
With a band gap up to 0.89 eV it is a semiconductor.
Is I4O2Ta2 thermodynamically stable?
Yes — I4O2Ta2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of I4O2Ta2 are known?
4 structures of I4O2Ta2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does I4O2Ta2 contain?
I4O2Ta2 contains I, O, and Ta (3 elements).
Where does the data for I4O2Ta2 come from?
I4O2Ta2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique member of the tantalum oxyiodide family, I4O2Ta2 occupies a stable position in its phase space. Unlike transient or metastable phases, its presence on the convex hull indicates a high degree of structural reliability, which is essential for systematic investigation in solid-state chemistry.

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

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