ScIO

ScIO is a thermodynamically stable, semiconducting ternary compound containing scandium, iodine, and oxygen.

IOSc
Crystal structure of ScIO
Ground-state structure · Materials Project
Overview

About ScIO

ScIO is a semiconducting compound composed of scandium, iodine, and oxygen. As a thermodynamically stable material situated on the convex hull, it represents a robust phase that maintains structural integrity under standard conditions. Its electronic character makes it an intriguing candidate for specialized semiconductor applications where specific elemental combinations are required to tune material performance. The material has been identified across multiple databases, reflecting significant interest in its structural diversity and potential for further experimental characterization. Its stability suggests it could serve as a reliable building block in complex inorganic synthesis or as a precursor for functional thin-film development.

At a glance

Key Properties

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

Band Gap

1.96 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

9
3 databases, 5 space groups
Uses

Applications

Where ScIO is used.

Semiconductor researchInorganic materials synthesisSolid-state chemistry studies
Reference

Frequently Asked Questions

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

What is ScIO?

ScIO is a thermodynamically stable, semiconducting ternary compound containing scandium, iodine, and oxygen.

More questions
What is ScIO used for?
ScIO is used in semiconductor research, inorganic materials synthesis, and solid-state chemistry studies.
What is the band gap of ScIO?
ScIO has a DFT-computed band gap of 1.96 eV across 9 reported structures.
Is ScIO a metal, semiconductor, or insulator?
With a band gap up to 1.96 eV it is a semiconductor.
Is ScIO thermodynamically stable?
Yes — ScIO sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of ScIO are known?
9 structures of ScIO are reported across 3 databases, spanning 5 distinct space groups.
What elements does ScIO contain?
ScIO contains I, O, and Sc (3 elements).
Where does the data for ScIO come from?
ScIO data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic phase, ScIO occupies a distinct niche in materials science. Unlike more common binary oxides or halides, this ternary compound leverages the specific bonding characteristics of scandium with both oxygen and iodine to achieve its stable semiconducting state, serving as a specialized example of how complex anion chemistry can stabilize novel electronic materials.

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

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