NbIO2

NbIO2 is a stable, semiconducting inorganic compound consisting of niobium, iodine, and oxygen.

INbO
Crystal structure of NbIO2
Ground-state structure · Materials Project
Overview

About NbIO2

NbIO2 is a distinct inorganic compound composed of niobium, 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.

Characterized as a semiconductor, this material is of significant interest for fundamental research into complex oxide-halide systems. Its existence across multiple reported structures highlights its versatility and the ongoing scientific effort to map its electronic potential.

At a glance

Key Properties

Cross-validated computational properties for NbIO2, aggregated across 3 databases.

Band Gap

1.04 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

10
3 databases, 5 space groups
Reference

Frequently Asked Questions

Common questions about NbIO2, answered from cross-validated data.

What is NbIO2?

NbIO2 is a stable, semiconducting inorganic compound consisting of niobium, iodine, and oxygen.

More questions
What is the band gap of NbIO2?
NbIO2 has a DFT-computed band gap of 1.04 eV across 10 reported structures.
Is NbIO2 a metal, semiconductor, or insulator?
With a band gap up to 1.04 eV it is a semiconductor.
Is NbIO2 thermodynamically stable?
Yes — NbIO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NbIO2 are known?
10 structures of NbIO2 are reported across 3 databases, spanning 5 distinct space groups.
What elements does NbIO2 contain?
NbIO2 contains I, Nb, and O (3 elements).
Where does the data for NbIO2 come from?
NbIO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique member of the niobium-iodine-oxygen system, NbIO2 serves as a foundational reference point for exploring the electronic and structural behavior of mixed-anion compounds where no direct siblings are currently classified.

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

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