Ba3UO6

Ba3UO6 is a semiconducting ternary oxide of barium and uranium that is considered a promising target for experimental synthesis.

BaOU
Crystal structure of Ba3UO6
Ground-state structure · Materials Project
Overview

About Ba3UO6

Ba3UO6 is a ternary oxide composed of barium, uranium, and oxygen. As a semiconducting material, it represents a complex coordination environment that is of significant interest for fundamental solid-state research and potential electronic applications.

This compound is noted for being near the thermodynamic hull, suggesting it is a viable candidate for experimental synthesis. With multiple reported structures across various databases, it remains a subject of ongoing investigation for its structural versatility and electronic properties.

At a glance

Key Properties

Cross-validated computational properties for Ba3UO6, aggregated across 3 databases.

Band Gap

2.16 eV
Range across DFT structures

Energy Above Hull

0.023 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Ba3UO6 is used.

Solid-state researchElectronic materials development
Reference

Frequently Asked Questions

Common questions about Ba3UO6, answered from cross-validated data.

What is Ba3UO6?

Ba3UO6 is a semiconducting ternary oxide of barium and uranium that is considered a promising target for experimental synthesis.

More questions
What is Ba3UO6 used for?
Ba3UO6 is used in solid-state research and electronic materials development.
What is the band gap of Ba3UO6?
Ba3UO6 has a DFT-computed band gap of 2.16 eV across 5 reported structures.
Is Ba3UO6 a metal, semiconductor, or insulator?
With a band gap up to 2.16 eV it is a semiconductor.
Is Ba3UO6 thermodynamically stable?
Ba3UO6 has a lowest energy above hull of 0.023 eV/atom (near hull (likely stable)).
How many polymorphs of Ba3UO6 are known?
5 structures of Ba3UO6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ba3UO6 contain?
Ba3UO6 contains Ba, O, and U (3 elements).
Where does the data for Ba3UO6 come from?
Ba3UO6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary oxide, Ba3UO6 serves as an important reference point for understanding the structural behavior of uranium-based perovskite-like systems and the influence of barium coordination on electronic transport properties.

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

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