YI3

Yttrium triiodide is a thermodynamically stable, insulating rare-earth halide used in specialized chemical applications.

IY
Crystal structure of YI3
Ground-state structure · Materials Project
Overview

About YI3

Yttrium triiodide is a stable inorganic compound characterized by its insulating electronic nature. As a member of the rare-earth halide family, it exhibits significant structural diversity, with numerous documented configurations across major material databases. Its thermodynamic stability on the convex hull underscores its robustness as a crystalline material. This compound is primarily utilized in specialized chemical synthesis and as a precursor for advanced material development where high-purity yttrium sources are required. Its wide-band-gap profile makes it an interesting subject for studies involving optical and electronic insulation properties in solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for YI3, aggregated across 3 databases.

Band Gap

3.04 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

45
3 databases, 11 space groups
Uses

Applications

Where YI3 is used.

Chemical synthesis precursorRare-earth material researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about YI3, answered from cross-validated data.

What is YI3?

Yttrium triiodide is a thermodynamically stable, insulating rare-earth halide used in specialized chemical applications.

More questions
What is YI3 used for?
YI3 is used in chemical synthesis precursor, rare-earth material research, and solid-state chemistry studies.
What is the band gap of YI3?
YI3 has a DFT-computed band gap of 3.04 eV across 45 reported structures.
Is YI3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.04 eV it is an insulator / wide-band-gap material.
Is YI3 thermodynamically stable?
Yes — YI3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of YI3 are known?
45 structures of YI3 are reported across 3 databases, spanning 11 distinct space groups.
What elements does YI3 contain?
YI3 contains I and Y (2 elements).
Where does the data for YI3 come from?
YI3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct rare-earth triiodide, YI3 serves as a fundamental reference point for understanding the structural and electronic trends within the broader class of lanthanide and yttrium-based halides. Its position on the convex hull highlights its stability relative to other halide systems, providing a reliable baseline for researchers investigating the synthesis and reactivity of metal-iodide frameworks.

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

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