Al2B2BaO7

Al2B2BaO7 is a thermodynamically stable, wide-gap insulating oxide composed of aluminum, boron, barium, and oxygen.

AlBBaO
Crystal structure of Al2B2BaO7
Ground-state structure · Materials Project
Overview

About Al2B2BaO7

Al2B2BaO7 is a complex oxide featuring aluminum, boron, barium, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions. Its electronic character is defined by a wide band gap, classifying it as a highly insulating material. This combination of stability and insulating behavior makes it a significant subject for researchers investigating advanced inorganic dielectrics and optical materials. The compound is documented across multiple structural databases, reflecting its status as a well-defined crystalline phase within the broader landscape of complex borate-aluminate oxides.

At a glance

Key Properties

Cross-validated computational properties for Al2B2BaO7, aggregated across 3 databases.

Band Gap

4.65 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Uses

Applications

Where Al2B2BaO7 is used.

Dielectric materials researchOptical materials developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Al2B2BaO7, answered from cross-validated data.

What is Al2B2BaO7?

Al2B2BaO7 is a thermodynamically stable, wide-gap insulating oxide composed of aluminum, boron, barium, and oxygen.

More questions
What is Al2B2BaO7 used for?
Al2B2BaO7 is used in dielectric materials research, optical materials development, and solid-state chemistry studies.
What is the band gap of Al2B2BaO7?
Al2B2BaO7 has a DFT-computed band gap of 4.65 eV across 3 reported structures.
Is Al2B2BaO7 a metal, semiconductor, or insulator?
With a wide band gap up to 4.65 eV it is an insulator / wide-band-gap material.
Is Al2B2BaO7 thermodynamically stable?
Yes — Al2B2BaO7 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Al2B2BaO7 are known?
3 structures of Al2B2BaO7 are reported across 3 databases, spanning 1 distinct space group.
What elements does Al2B2BaO7 contain?
Al2B2BaO7 contains Al, B, Ba, and O (4 elements).
Where does the data for Al2B2BaO7 come from?
Al2B2BaO7 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable oxide, Al2B2BaO7 serves as a benchmark for structural stability within its chemical system. While it shares common constituent elements with various other borate-aluminate compounds, its specific stoichiometry and structural arrangement distinguish it as a unique, energetically favorable phase that remains resilient against decomposition.

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

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