PSe

PSe is a thermodynamically stable semiconducting compound formed from phosphorus and selenium that exhibits significant structural variety.

PSe
Crystal structure of PSe
Ground-state structure · Materials Project
Overview

About PSe

PSe is a binary semiconductor composed of phosphorus and selenium. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these two elements that maintains structural integrity under standard conditions. Its electronic properties make it a subject of interest for researchers investigating chalcogenide-based materials.

With a high degree of data richness, this compound has been documented across numerous structural databases. This extensive cataloging underscores its significance in materials science, providing a foundational reference for those studying the complex bonding arrangements possible between phosphorus and selenium.

At a glance

Key Properties

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

Band Gap

2.27 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

96
4 databases, 17 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting PSe.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where PSe is used.

Semiconductor researchChalcogenide materials developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

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

What is PSe?

PSe is a thermodynamically stable semiconducting compound formed from phosphorus and selenium that exhibits significant structural variety.

More questions
What is PSe used for?
PSe is used in semiconductor research, chalcogenide materials development, and solid-state chemistry studies.
What is the band gap of PSe?
PSe has a DFT-computed band gap of 2.27 eV across 96 reported structures.
Is PSe a metal, semiconductor, or insulator?
With a band gap up to 2.27 eV it is a semiconductor.
Is PSe thermodynamically stable?
Yes — PSe sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of PSe are known?
96 structures of PSe are reported across 4 databases, spanning 17 distinct space groups.
How is PSe synthesized?
Literature-reported routes for PSe include solid state.
What elements does PSe contain?
PSe contains P and Se (2 elements).
Where does the data for PSe come from?
PSe data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique binary system, PSe serves as a critical reference point for understanding the phase space of phosphorus-selenium compounds. It stands as a well-defined, stable material that anchors the study of chalcogenide semiconductors in this chemical family.

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

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