CrI2

CrI2 is a metastable semiconducting material consisting of chromium and iodine used primarily in fundamental materials science research.

CrI
Crystal structure of CrI2
Ground-state structure · Materials Project
Overview

About CrI2

CrI2 is a semiconducting compound composed of chromium and iodine. As a metastable material, it represents a unique phase that requires specific synthesis conditions to maintain its structural integrity, making it a subject of interest for fundamental solid-state chemistry studies.

Because of its electronic character, this material is primarily investigated for its potential in specialized semiconductor applications. Its existence across numerous reported structures highlights its complexity and the ongoing efforts to characterize its behavior in various crystalline forms.

At a glance

Key Properties

Cross-validated computational properties for CrI2, aggregated across 3 databases.

Band Gap

0.26 eV
Range across DFT structures

Energy Above Hull

0.085 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

59
3 databases, 20 space groups
Uses

Applications

Where CrI2 is used.

Fundamental materials researchSolid-state chemistry studiesSemiconductor development
Reference

Frequently Asked Questions

Common questions about CrI2, answered from cross-validated data.

What is CrI2?

CrI2 is a metastable semiconducting material consisting of chromium and iodine used primarily in fundamental materials science research.

More questions
What is CrI2 used for?
CrI2 is used in fundamental materials research, solid-state chemistry studies, and semiconductor development.
What is the band gap of CrI2?
CrI2 has a DFT-computed band gap of 0.26 eV across 59 reported structures.
Is CrI2 a metal, semiconductor, or insulator?
With a band gap up to 0.26 eV it is a semiconductor.
Is CrI2 thermodynamically stable?
CrI2 has a lowest energy above hull of 0.085 eV/atom (metastable).
How many polymorphs of CrI2 are known?
59 structures of CrI2 are reported across 3 databases, spanning 20 distinct space groups.
What elements does CrI2 contain?
CrI2 contains Cr and I (2 elements).
Where does the data for CrI2 come from?
CrI2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique chromium-based halide, CrI2 occupies a distinct position in materials research, serving as a critical case study for understanding the stability and electronic properties of transition metal dihalides in the absence of more common structural analogs.

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

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