CaIO2

CaIO2 is a semiconducting, metastable inorganic compound containing calcium, iodine, and oxygen that exhibits significant structural variety.

CaIO
Overview

About CaIO2

CaIO2 is a complex inorganic compound composed of calcium, iodine, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from simple ionic oxides, though its precise role in advanced material systems remains a subject of ongoing investigation.

This compound is characterized by a notable degree of structural diversity, with numerous reported configurations across crystallographic databases. Because it resides above the thermodynamic hull, it is considered a metastable phase, which highlights the synthetic challenges involved in stabilizing this specific stoichiometry.

At a glance

Key Properties

Cross-validated computational properties for CaIO2, aggregated across 2 databases.

Band Gap

1.59–1.75 eV
Range across DFT structures

Energy Above Hull

0.232 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

14
2 databases, 5 space groups
Reference

Frequently Asked Questions

Common questions about CaIO2, answered from cross-validated data.

What is CaIO2?

CaIO2 is a semiconducting, metastable inorganic compound containing calcium, iodine, and oxygen that exhibits significant structural variety.

More questions
What is the band gap of CaIO2?
CaIO2 has a DFT-computed band gap of 1.59–1.75 eV across 14 reported structures.
Is CaIO2 a metal, semiconductor, or insulator?
With a band gap up to 1.75 eV it is a semiconductor.
Is CaIO2 thermodynamically stable?
CaIO2 has a lowest energy above hull of 0.232 eV/atom (above hull).
How many polymorphs of CaIO2 are known?
14 structures of CaIO2 are reported across 2 databases, spanning 5 distinct space groups.
What elements does CaIO2 contain?
CaIO2 contains Ca, I, and O (3 elements).
Where does the data for CaIO2 come from?
CaIO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic phase, CaIO2 occupies a distinct niche in materials science where its metastability suggests it may exist as a transient or specialized structure rather than a bulk-stable mineral. Unlike more common, highly stable calcium-based oxides, this compound represents a complex experimental target that requires specific synthesis conditions to isolate.

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

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