Bi4Cl4O12Se4

Bi4Cl4O12Se4 is a thermodynamically stable, wide-gap insulating compound composed of bismuth, chlorine, oxygen, and selenium.

BiClOSe
Crystal structure of Bi4Cl4O12Se4
Ground-state structure · Materials Project
Overview

About Bi4Cl4O12Se4

Bi4Cl4O12Se4 is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a material situated on the convex hull, it represents a robust structural arrangement of bismuth, chlorine, oxygen, and selenium atoms.

Its wide-gap electronic profile makes it a subject of interest for fundamental materials research. The compound's structural integrity suggests potential utility in specialized optical or dielectric applications where stable, non-conductive inorganic frameworks are required.

At a glance

Key Properties

Cross-validated computational properties for Bi4Cl4O12Se4, aggregated across 4 databases.

Band Gap

3.53–3.62 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
4 databases, 4 space groups
Uses

Applications

Where Bi4Cl4O12Se4 is used.

Fundamental materials researchDielectric materials developmentOptical materials science
Reference

Frequently Asked Questions

Common questions about Bi4Cl4O12Se4, answered from cross-validated data.

What is Bi4Cl4O12Se4?

Bi4Cl4O12Se4 is a thermodynamically stable, wide-gap insulating compound composed of bismuth, chlorine, oxygen, and selenium.

More questions
What is Bi4Cl4O12Se4 used for?
Bi4Cl4O12Se4 is used in fundamental materials research, dielectric materials development, and optical materials science.
What is the band gap of Bi4Cl4O12Se4?
Bi4Cl4O12Se4 has a DFT-computed band gap of 3.53–3.62 eV across 6 reported structures.
Is Bi4Cl4O12Se4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.62 eV it is an insulator / wide-band-gap material.
Is Bi4Cl4O12Se4 thermodynamically stable?
Yes — Bi4Cl4O12Se4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Bi4Cl4O12Se4 are known?
6 structures of Bi4Cl4O12Se4 are reported across 4 databases, spanning 4 distinct space groups.
What elements does Bi4Cl4O12Se4 contain?
Bi4Cl4O12Se4 contains Bi, Cl, O, and Se (4 elements).
Where does the data for Bi4Cl4O12Se4 come from?
Bi4Cl4O12Se4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a highly stable, multi-elemental inorganic compound, Bi4Cl4O12Se4 serves as a benchmark for complex bismuth-based oxyhalide-selenide systems. Its position on the convex hull distinguishes it as a particularly favorable structural configuration compared to less stable, metastable phases within similar chemical spaces.

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

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