B2O6Tl6

B2O6Tl6 is a thermodynamically stable, semiconducting inorganic borate compound.

BOTl
Crystal structure of B2O6Tl6
Ground-state structure · Materials Project
Overview

About B2O6Tl6

B2O6Tl6 is a complex borate compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within its chemical system.

Its stability and electronic properties make it a subject of interest for researchers investigating new inorganic semiconductors. The existence of multiple reported structures highlights its structural versatility and potential for tuning in various solid-state applications.

At a glance

Key Properties

Cross-validated computational properties for B2O6Tl6, aggregated across 3 databases.

Band Gap

1.30 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where B2O6Tl6 is used.

Semiconductor researchSolid-state material development
Reference

Frequently Asked Questions

Common questions about B2O6Tl6, answered from cross-validated data.

What is B2O6Tl6?

B2O6Tl6 is a thermodynamically stable, semiconducting inorganic borate compound.

More questions
What is B2O6Tl6 used for?
B2O6Tl6 is used in semiconductor research and solid-state material development.
What is the band gap of B2O6Tl6?
B2O6Tl6 has a DFT-computed band gap of 1.30 eV across 5 reported structures.
Is B2O6Tl6 a metal, semiconductor, or insulator?
With a band gap up to 1.30 eV it is a semiconductor.
Is B2O6Tl6 thermodynamically stable?
Yes — B2O6Tl6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of B2O6Tl6 are known?
5 structures of B2O6Tl6 are reported across 3 databases, spanning 1 distinct space group.
What elements does B2O6Tl6 contain?
B2O6Tl6 contains B, O, and Tl (3 elements).
Where does the data for B2O6Tl6 come from?
B2O6Tl6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique member of its chemical family, B2O6Tl6 serves as a stable reference point for understanding the interplay between thallium and boron-oxygen frameworks. Its position on the convex hull suggests a favorable energy state that distinguishes it from more metastable or transient phases in similar borate systems.

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

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