Ba4Ge4O2S12Zn2

Ba4Ge4O2S12Zn2 is a thermodynamically stable, semiconducting quaternary compound containing barium, germanium, oxygen, sulfur, and zinc.

BaGeOSZn
Crystal structure of Ba4Ge4O2S12Zn2
Ground-state structure · Materials Project
Overview

About Ba4Ge4O2S12Zn2

Ba4Ge4O2S12Zn2 is a complex quaternary compound composed of barium, germanium, oxygen, sulfur, and zinc. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement that is well-defined within current materials databases.

This compound exhibits semiconducting electronic character, making it a subject of interest for specialized optoelectronic or solid-state applications. Its unique chemical composition allows for diverse structural configurations, as evidenced by multiple reported entries in structural databases.

At a glance

Key Properties

Cross-validated computational properties for Ba4Ge4O2S12Zn2, aggregated across 3 databases.

Band Gap

2.11 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Ba4Ge4O2S12Zn2 is used.

Semiconductor researchSolid-state materials developmentOptoelectronic material studies
Reference

Frequently Asked Questions

Common questions about Ba4Ge4O2S12Zn2, answered from cross-validated data.

What is Ba4Ge4O2S12Zn2?

Ba4Ge4O2S12Zn2 is a thermodynamically stable, semiconducting quaternary compound containing barium, germanium, oxygen, sulfur, and zinc.

More questions
What is Ba4Ge4O2S12Zn2 used for?
Ba4Ge4O2S12Zn2 is used in semiconductor research, solid-state materials development, and optoelectronic material studies.
What is the band gap of Ba4Ge4O2S12Zn2?
Ba4Ge4O2S12Zn2 has a DFT-computed band gap of 2.11 eV across 5 reported structures.
Is Ba4Ge4O2S12Zn2 a metal, semiconductor, or insulator?
With a band gap up to 2.11 eV it is a semiconductor.
Is Ba4Ge4O2S12Zn2 thermodynamically stable?
Yes — Ba4Ge4O2S12Zn2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ba4Ge4O2S12Zn2 are known?
5 structures of Ba4Ge4O2S12Zn2 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ba4Ge4O2S12Zn2 contain?
Ba4Ge4O2S12Zn2 contains Ba, Ge, O, S, and Zn (5 elements).
Where does the data for Ba4Ge4O2S12Zn2 come from?
Ba4Ge4O2S12Zn2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct quaternary sulfide oxide, Ba4Ge4O2S12Zn2 occupies a unique niche in solid-state chemistry. Unlike simpler binary or ternary chalcogenides, this material leverages the interplay between oxygen and sulfur coordination to maintain its thermodynamic stability while providing a semiconducting framework for potential electronic utility.

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

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