Al2B2Ba2F4O6

Al2B2Ba2F4O6 is a thermodynamically stable, wide-band-gap insulating compound composed of aluminum, boron, barium, fluorine, and oxygen.

AlBBaFO
Crystal structure of Al2B2Ba2F4O6
Ground-state structure · Materials Project
Overview

About Al2B2Ba2F4O6

Al2B2Ba2F4O6 is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a material residing on the convex hull, it represents a robust phase that maintains structural integrity under standard conditions.

This material is of significant interest in materials science due to its unique combination of aluminum, boron, barium, fluorine, and oxygen. Its wide-band-gap profile suggests potential utility in applications requiring dielectric performance or optical transparency where electronic conductivity must be minimized.

At a glance

Key Properties

Cross-validated computational properties for Al2B2Ba2F4O6, aggregated across 3 databases.

Band Gap

6.06 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
3 databases, 2 space groups
Uses

Applications

Where Al2B2Ba2F4O6 is used.

Dielectric materials researchOptical materials developmentSolid-state chemistry investigations
Reference

Frequently Asked Questions

Common questions about Al2B2Ba2F4O6, answered from cross-validated data.

What is Al2B2Ba2F4O6?

Al2B2Ba2F4O6 is a thermodynamically stable, wide-band-gap insulating compound composed of aluminum, boron, barium, fluorine, and oxygen.

More questions
What is Al2B2Ba2F4O6 used for?
Al2B2Ba2F4O6 is used in dielectric materials research, optical materials development, and solid-state chemistry investigations.
What is the band gap of Al2B2Ba2F4O6?
Al2B2Ba2F4O6 has a DFT-computed band gap of 6.06 eV across 6 reported structures.
Is Al2B2Ba2F4O6 a metal, semiconductor, or insulator?
With a wide band gap up to 6.06 eV it is an insulator / wide-band-gap material.
Is Al2B2Ba2F4O6 thermodynamically stable?
Yes — Al2B2Ba2F4O6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Al2B2Ba2F4O6 are known?
6 structures of Al2B2Ba2F4O6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Al2B2Ba2F4O6 contain?
Al2B2Ba2F4O6 contains Al, B, Ba, F, and O (5 elements).
Where does the data for Al2B2Ba2F4O6 come from?
Al2B2Ba2F4O6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a structurally distinct inorganic phase, Al2B2Ba2F4O6 occupies a unique position in the landscape of complex fluoroborates. While it currently stands as a singular entity in this specific composition space, its stability and insulating character position it as a foundational reference point for future studies into multi-anionic crystalline frameworks.

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

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