YIO

YIO is a thermodynamically stable, wide-band-gap insulating ternary compound composed of yttrium, iodine, and oxygen.

IOY
Crystal structure of YIO
Ground-state structure · Materials Project
Overview

About YIO

YIO is a distinct inorganic compound composed of yttrium, iodine, and oxygen. As a thermodynamically stable material situated on the convex hull, it exhibits robust structural integrity that makes it a subject of interest for fundamental materials research.

Characterized as a wide-band-gap insulator, this compound possesses electronic properties typical of materials that resist electrical conduction. With numerous reported structures across various databases, it represents a well-documented entry in the landscape of complex ternary oxides.

At a glance

Key Properties

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

Band Gap

2.22–3.41 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

18
3 databases, 5 space groups
Reference

Frequently Asked Questions

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

What is YIO?

YIO is a thermodynamically stable, wide-band-gap insulating ternary compound composed of yttrium, iodine, and oxygen.

More questions
What is the band gap of YIO?
YIO has a DFT-computed band gap of 2.22–3.41 eV across 18 reported structures.
Is YIO a metal, semiconductor, or insulator?
With a wide band gap up to 3.41 eV it is an insulator / wide-band-gap material.
Is YIO thermodynamically stable?
Yes — YIO sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of YIO are known?
18 structures of YIO are reported across 3 databases, spanning 5 distinct space groups.
What elements does YIO contain?
YIO contains I, O, and Y (3 elements).
Where does the data for YIO come from?
YIO data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary compound, YIO occupies a specialized niche in materials science, serving as a reference point for understanding the interplay between yttrium, iodine, and oxygen in stable crystalline configurations.

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

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