Ba6Bi2Na2O12

Ba6Bi2Na2O12 is a thermodynamically stable semiconducting quaternary oxide composed of barium, bismuth, sodium, and oxygen.

BaBiNaO
Crystal structure of Ba6Bi2Na2O12
Ground-state structure · Materials Project
Overview

About Ba6Bi2Na2O12

Ba6Bi2Na2O12 is a complex oxide featuring a unique arrangement of barium, bismuth, sodium, and oxygen atoms. Its electronic character as a semiconductor suggests it may hold potential for specialized optoelectronic or catalytic applications where specific charge transport properties are required.

As a thermodynamically stable phase located on the convex hull, this compound exhibits robust structural integrity. With multiple reported structures across major databases, it serves as a significant subject for researchers investigating complex quaternary oxides and their potential for functional material design.

At a glance

Key Properties

Cross-validated computational properties for Ba6Bi2Na2O12, aggregated across 3 databases.

Band Gap

0.33–1.71 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
3 databases, 2 space groups
Uses

Applications

Where Ba6Bi2Na2O12 is used.

Materials science researchSolid-state chemistry studiesSemiconductor device development
Reference

Frequently Asked Questions

Common questions about Ba6Bi2Na2O12, answered from cross-validated data.

What is Ba6Bi2Na2O12?

Ba6Bi2Na2O12 is a thermodynamically stable semiconducting quaternary oxide composed of barium, bismuth, sodium, and oxygen.

More questions
What is Ba6Bi2Na2O12 used for?
Ba6Bi2Na2O12 is used in materials science research, solid-state chemistry studies, and semiconductor device development.
What is the band gap of Ba6Bi2Na2O12?
Ba6Bi2Na2O12 has a DFT-computed band gap of 0.33–1.71 eV across 4 reported structures.
Is Ba6Bi2Na2O12 a metal, semiconductor, or insulator?
With a band gap up to 1.71 eV it is a semiconductor.
Is Ba6Bi2Na2O12 thermodynamically stable?
Yes — Ba6Bi2Na2O12 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ba6Bi2Na2O12 are known?
4 structures of Ba6Bi2Na2O12 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ba6Bi2Na2O12 contain?
Ba6Bi2Na2O12 contains Ba, Bi, Na, and O (4 elements).
Where does the data for Ba6Bi2Na2O12 come from?
Ba6Bi2Na2O12 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a quaternary oxide, Ba6Bi2Na2O12 represents a distinct structural configuration within the landscape of complex bismuth-based ceramics, offering a stable framework that differentiates it from simpler binary or ternary metal oxides.

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

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