Ba3Cu6Ge3Se12

Ba3Cu6Ge3Se12 is a stable, semiconducting quaternary selenide compound composed of barium, copper, and germanium.

BaCuGeSe
Crystal structure of Ba3Cu6Ge3Se12
Ground-state structure · Materials Project
Overview

About Ba3Cu6Ge3Se12

Ba3Cu6Ge3Se12 is a quaternary selenide compound featuring barium, copper, and germanium. As a thermodynamically stable material located on the convex hull, it represents a robust structural arrangement within its chemical system.

This compound functions as a semiconductor, making it a subject of interest for electronic and optoelectronic research. Its structural complexity and stability suggest potential utility in specialized solid-state applications requiring precise electronic control.

At a glance

Key Properties

Cross-validated computational properties for Ba3Cu6Ge3Se12, aggregated across 4 databases.

Band Gap

0.36–1.54 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

4
4 databases, 1 space group
Uses

Applications

Where Ba3Cu6Ge3Se12 is used.

Semiconductor researchSolid-state electronic materialsOptoelectronic device development
Reference

Frequently Asked Questions

Common questions about Ba3Cu6Ge3Se12, answered from cross-validated data.

What is Ba3Cu6Ge3Se12?

Ba3Cu6Ge3Se12 is a stable, semiconducting quaternary selenide compound composed of barium, copper, and germanium.

More questions
What is Ba3Cu6Ge3Se12 used for?
Ba3Cu6Ge3Se12 is used in semiconductor research, solid-state electronic materials, and optoelectronic device development.
What is the band gap of Ba3Cu6Ge3Se12?
Ba3Cu6Ge3Se12 has a DFT-computed band gap of 0.36–1.54 eV across 4 reported structures.
Is Ba3Cu6Ge3Se12 a metal, semiconductor, or insulator?
With a band gap up to 1.54 eV it is a semiconductor.
Is Ba3Cu6Ge3Se12 thermodynamically stable?
Yes — Ba3Cu6Ge3Se12 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ba3Cu6Ge3Se12 are known?
4 structures of Ba3Cu6Ge3Se12 are reported across 4 databases, spanning 1 distinct space group.
What elements does Ba3Cu6Ge3Se12 contain?
Ba3Cu6Ge3Se12 contains Ba, Cu, Ge, and Se (4 elements).
Where does the data for Ba3Cu6Ge3Se12 come from?
Ba3Cu6Ge3Se12 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct quaternary chalcogenide, Ba3Cu6Ge3Se12 occupies a unique position in materials science due to its thermodynamic stability and specific stoichiometry, serving as a foundational example for the synthesis and characterization of complex copper-germanium-selenide frameworks.

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

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