PI2

PI2 is a thermodynamically stable, semiconducting binary compound formed from phosphorus and iodine.

IP
Crystal structure of PI2
Ground-state structure · Materials Project
Overview

About PI2

PI2 is a phosphorus-iodine compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements, making it a subject of significant interest for structural analysis and material modeling.

Given its status as a well-documented material with numerous reported structures across databases, PI2 serves as a key reference point for understanding phosphorus-iodine bonding environments. Its stability suggests potential for applications where consistent electronic behavior is required.

At a glance

Key Properties

Cross-validated computational properties for PI2, aggregated across 4 databases.

Band Gap

1.93 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

34
4 databases, 15 space groups
Uses

Applications

Where PI2 is used.

Semiconductor researchFundamental materials scienceStructural chemistry studies
Reference

Frequently Asked Questions

Common questions about PI2, answered from cross-validated data.

What is PI2?

PI2 is a thermodynamically stable, semiconducting binary compound formed from phosphorus and iodine.

More questions
What is PI2 used for?
PI2 is used in semiconductor research, fundamental materials science, and structural chemistry studies.
What is the band gap of PI2?
PI2 has a DFT-computed band gap of 1.93 eV across 34 reported structures.
Is PI2 a metal, semiconductor, or insulator?
With a band gap up to 1.93 eV it is a semiconductor.
Is PI2 thermodynamically stable?
Yes — PI2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of PI2 are known?
34 structures of PI2 are reported across 4 databases, spanning 15 distinct space groups.
What elements does PI2 contain?
PI2 contains I and P (2 elements).
Where does the data for PI2 come from?
PI2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct phosphorus-iodine compound, PI2 occupies a unique position in materials research. Without direct siblings in this specific class, it serves as a primary example of how these elements can form stable, semiconducting architectures, providing a benchmark for future exploration of similar binary systems.

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

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