AsSeI

AsSeI is a stable, semiconducting ternary compound consisting of arsenic, selenium, and iodine.

AsISe
Crystal structure of AsSeI
Ground-state structure · Materials Project
Overview

About AsSeI

AsSeI is a distinct ternary compound composed of arsenic, selenium, and iodine. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.

This material exhibits semiconducting electronic behavior, making it an interesting candidate for specialized optoelectronic or sensing applications. Its multi-element composition allows for complex bonding environments that are characteristic of chalcogenide-halide systems.

At a glance

Key Properties

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

Band Gap

1.23 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

7
3 databases, 5 space groups
Uses

Applications

Where AsSeI is used.

Semiconductor researchOptoelectronic material developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

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

What is AsSeI?

AsSeI is a stable, semiconducting ternary compound consisting of arsenic, selenium, and iodine.

More questions
What is AsSeI used for?
AsSeI is used in semiconductor research, optoelectronic material development, and solid-state chemistry studies.
What is the band gap of AsSeI?
AsSeI has a DFT-computed band gap of 1.23 eV across 7 reported structures.
Is AsSeI a metal, semiconductor, or insulator?
With a band gap up to 1.23 eV it is a semiconductor.
Is AsSeI thermodynamically stable?
Yes — AsSeI sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of AsSeI are known?
7 structures of AsSeI are reported across 3 databases, spanning 5 distinct space groups.
What elements does AsSeI contain?
AsSeI contains As, I, and Se (3 elements).
Where does the data for AsSeI come from?
AsSeI data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary compound, AsSeI serves as a foundational example of how integrating halogens into arsenic-chalcogenide frameworks can yield stable, semiconducting materials with distinct electronic properties.

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

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