Ba4Cl16Zn4

Ba4Cl16Zn4 is a thermodynamically stable, insulating inorganic compound containing barium, chlorine, and zinc.

BaClZn
Crystal structure of Ba4Cl16Zn4
Ground-state structure · Materials Project
Overview

About Ba4Cl16Zn4

Ba4Cl16Zn4 is a complex inorganic compound composed of barium, chlorine, and zinc. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement that is well-represented across multiple materials databases.

Characterized by its wide-gap insulating electronic nature, this compound is of significant interest to researchers studying dielectric properties and wide-bandgap materials. Its stability suggests potential for integration into specialized electronic or optical applications where insulating behavior is required.

At a glance

Key Properties

Cross-validated computational properties for Ba4Cl16Zn4, aggregated across 3 databases.

Band Gap

4.63 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

7
3 databases, 2 space groups
Uses

Applications

Where Ba4Cl16Zn4 is used.

Dielectric materials researchWide-bandgap semiconductor studiesSolid-state chemistry research
Reference

Frequently Asked Questions

Common questions about Ba4Cl16Zn4, answered from cross-validated data.

What is Ba4Cl16Zn4?

Ba4Cl16Zn4 is a thermodynamically stable, insulating inorganic compound containing barium, chlorine, and zinc.

More questions
What is Ba4Cl16Zn4 used for?
Ba4Cl16Zn4 is used in dielectric materials research, wide-bandgap semiconductor studies, and solid-state chemistry research.
What is the band gap of Ba4Cl16Zn4?
Ba4Cl16Zn4 has a DFT-computed band gap of 4.63 eV across 7 reported structures.
Is Ba4Cl16Zn4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.63 eV it is an insulator / wide-band-gap material.
Is Ba4Cl16Zn4 thermodynamically stable?
Yes — Ba4Cl16Zn4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ba4Cl16Zn4 are known?
7 structures of Ba4Cl16Zn4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ba4Cl16Zn4 contain?
Ba4Cl16Zn4 contains Ba, Cl, and Zn (3 elements).
Where does the data for Ba4Cl16Zn4 come from?
Ba4Cl16Zn4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic phase, Ba4Cl16Zn4 occupies a distinct position within its chemical family, serving as a stable reference point for understanding the interplay between alkaline earth metals, halides, and transition metals in complex lattice structures.

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

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