AlICl2

AlICl2 is a stable, semiconducting inorganic compound composed of aluminum, iodine, and chlorine.

AlClI
Overview

About AlICl2

AlICl2 is a distinct inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of aluminum, iodine, and chlorine atoms that maintains structural integrity under standard conditions. The compound is notable for its structural diversity, with multiple reported configurations across major materials databases. This versatility makes it an intriguing subject for researchers investigating the interplay between halide chemistry and semiconductor physics.

At a glance

Key Properties

Cross-validated computational properties for AlICl2, aggregated across 3 databases.

Band Gap

1.73 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 3 space groups
Uses

Applications

Where AlICl2 is used.

Semiconductor researchMaterials science explorationHalide-based chemical synthesis
Reference

Frequently Asked Questions

Common questions about AlICl2, answered from cross-validated data.

What is AlICl2?

AlICl2 is a stable, semiconducting inorganic compound composed of aluminum, iodine, and chlorine.

More questions
What is AlICl2 used for?
AlICl2 is used in semiconductor research, materials science exploration, and halide-based chemical synthesis.
What is the band gap of AlICl2?
AlICl2 has a DFT-computed band gap of 1.73 eV across 5 reported structures.
Is AlICl2 a metal, semiconductor, or insulator?
With a band gap up to 1.73 eV it is a semiconductor.
Is AlICl2 thermodynamically stable?
Yes — AlICl2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of AlICl2 are known?
5 structures of AlICl2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does AlICl2 contain?
AlICl2 contains Al, Cl, and I (3 elements).
Where does the data for AlICl2 come from?
AlICl2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique halide-based semiconductor, AlICl2 serves as a foundational example of complex aluminum-based ternary systems. Without direct structural analogs in this specific class, it stands as a primary reference point for understanding how the integration of different halogen species into an aluminum framework influences electronic behavior and thermodynamic stability.

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

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