Te2I

Te2I is a thermodynamically stable semiconducting compound formed from tellurium and iodine.

ITe
Crystal structure of Te2I
Ground-state structure · Materials Project
Overview

About Te2I

Te2I is a distinct inorganic compound composed of tellurium and iodine. As a thermodynamically stable material located on the convex hull, it represents a robust phase within the tellurium-iodine system.

Exhibiting semiconducting electronic character, this material is of significant interest for fundamental research into chalcogen-halide interactions. Its structural complexity is highlighted by a high volume of reported configurations across various databases, marking it as a well-documented subject for materials science investigations.

At a glance

Key Properties

Cross-validated computational properties for Te2I, aggregated across 3 databases.

Band Gap

0.66 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

59
3 databases, 14 space groups
Reference

Frequently Asked Questions

Common questions about Te2I, answered from cross-validated data.

What is Te2I?

Te2I is a thermodynamically stable semiconducting compound formed from tellurium and iodine.

More questions
What is the band gap of Te2I?
Te2I has a DFT-computed band gap of 0.66 eV across 59 reported structures.
Is Te2I a metal, semiconductor, or insulator?
With a band gap up to 0.66 eV it is a semiconductor.
Is Te2I thermodynamically stable?
Yes — Te2I sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Te2I are known?
59 structures of Te2I are reported across 3 databases, spanning 14 distinct space groups.
What elements does Te2I contain?
Te2I contains I and Te (2 elements).
Where does the data for Te2I come from?
Te2I data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique binary phase, Te2I serves as a foundational reference point for understanding the bonding and electronic behavior of tellurium-rich halides, providing insights into how these elements arrange into stable semiconducting frameworks.

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

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