O16Pb4S4

O16Pb4S4 is a thermodynamically stable lead oxysulfide that acts as a wide-gap insulator.

OPbS
Crystal structure of O16Pb4S4
Ground-state structure · Materials Project
Overview

About O16Pb4S4

O16Pb4S4 is a complex lead oxysulfide compound characterized by its insulating electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of lead, sulfur, and oxygen atoms that maintains structural integrity under standard conditions. The material is notable for its structural diversity, supported by multiple reported crystal arrangements across major databases. Its stability and distinct electronic properties make it a subject of interest for fundamental studies in inorganic chemistry and solid-state materials science.

At a glance

Key Properties

Cross-validated computational properties for O16Pb4S4, aggregated across 3 databases.

Band Gap

3.86–3.99 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

11
3 databases, 1 space group
Uses

Applications

Where O16Pb4S4 is used.

Solid-state materials researchFundamental structural chemistry studies
Reference

Frequently Asked Questions

Common questions about O16Pb4S4, answered from cross-validated data.

What is O16Pb4S4?

O16Pb4S4 is a thermodynamically stable lead oxysulfide that acts as a wide-gap insulator.

More questions
What is O16Pb4S4 used for?
O16Pb4S4 is used in solid-state materials research and fundamental structural chemistry studies.
What is the band gap of O16Pb4S4?
O16Pb4S4 has a DFT-computed band gap of 3.86–3.99 eV across 11 reported structures.
Is O16Pb4S4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.99 eV it is an insulator / wide-band-gap material.
Is O16Pb4S4 thermodynamically stable?
Yes — O16Pb4S4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of O16Pb4S4 are known?
11 structures of O16Pb4S4 are reported across 3 databases, spanning 1 distinct space group.
What elements does O16Pb4S4 contain?
O16Pb4S4 contains O, Pb, and S (3 elements).
Where does the data for O16Pb4S4 come from?
O16Pb4S4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic compound, O16Pb4S4 serves as a foundational example of lead-based oxysulfides. It occupies a distinct niche in materials databases, providing a stable reference point for understanding the interplay between chalcogenide and oxide bonding environments in complex crystalline structures.

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

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