P6Rb6Se18

P6Rb6Se18 is a thermodynamically stable semiconducting compound composed of phosphorus, rubidium, and selenium.

PRbSe
Crystal structure of P6Rb6Se18
Ground-state structure · Materials Project
Overview

About P6Rb6Se18

P6Rb6Se18 is a complex ternary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement within its chemical system.

This material is of interest to researchers investigating the structural diversity of phosphorus-rubidium-selenium compounds. Its stability and electronic profile make it a subject of study for those mapping the fundamental properties of complex semiconductor architectures.

At a glance

Key Properties

Cross-validated computational properties for P6Rb6Se18, aggregated across 4 databases.

Band Gap

1.12 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
4 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about P6Rb6Se18, answered from cross-validated data.

What is P6Rb6Se18?

P6Rb6Se18 is a thermodynamically stable semiconducting compound composed of phosphorus, rubidium, and selenium.

More questions
What is the band gap of P6Rb6Se18?
P6Rb6Se18 has a DFT-computed band gap of 1.12 eV across 4 reported structures.
Is P6Rb6Se18 a metal, semiconductor, or insulator?
With a band gap up to 1.12 eV it is a semiconductor.
Is P6Rb6Se18 thermodynamically stable?
Yes — P6Rb6Se18 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of P6Rb6Se18 are known?
4 structures of P6Rb6Se18 are reported across 4 databases, spanning 2 distinct space groups.
What elements does P6Rb6Se18 contain?
P6Rb6Se18 contains P, Rb, and Se (3 elements).
Where does the data for P6Rb6Se18 come from?
P6Rb6Se18 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary compound, P6Rb6Se18 serves as a distinct point of reference within its chemical family, representing a stable structural configuration that highlights the diverse bonding possibilities between phosphorus, rubidium, and selenium.

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

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