HI3

HI3 is a thermodynamically stable, semiconducting compound consisting of hydrogen and iodine.

HI
Crystal structure of HI3
Ground-state structure · Materials Project
Overview

About HI3

HI3 is a unique inorganic compound composed of hydrogen and iodine. As a thermodynamically stable material situated on the convex hull, it represents a well-defined structural configuration that has been documented across multiple scientific databases. Its electronic character as a semiconductor makes it an intriguing subject for research into specialized electronic and chemical behaviors. The compound's existence across numerous reported structures highlights its significance in fundamental materials science studies. By analyzing its atomic arrangement, researchers can better understand the stability and bonding interactions within this specific hydrogen-iodide system.

At a glance

Key Properties

Cross-validated computational properties for HI3, aggregated across 4 databases.

Band Gap

1.15–1.28 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

12
4 databases, 4 space groups
Reference

Frequently Asked Questions

Common questions about HI3, answered from cross-validated data.

What is HI3?

HI3 is a thermodynamically stable, semiconducting compound consisting of hydrogen and iodine.

More questions
What is the band gap of HI3?
HI3 has a DFT-computed band gap of 1.15–1.28 eV across 12 reported structures.
Is HI3 a metal, semiconductor, or insulator?
With a band gap up to 1.28 eV it is a semiconductor.
Is HI3 thermodynamically stable?
Yes — HI3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of HI3 are known?
12 structures of HI3 are reported across 4 databases, spanning 4 distinct space groups.
What elements does HI3 contain?
HI3 contains H and I (2 elements).
Where does the data for HI3 come from?
HI3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct chemical entity, HI3 occupies a singular position in its class, serving as a primary reference point for understanding the interplay between hydrogen and iodine in stable, semiconducting configurations.

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

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