TlBO2

TlBO2 is a stable semiconducting thallium borate compound.

BOTl
Crystal structure of TlBO2
Ground-state structure · Materials Project
Overview

About TlBO2

TlBO2 is a semiconducting compound composed of thallium, boron, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within its chemical system.

Its electronic character suggests potential utility in specialized optoelectronic or sensing applications. With multiple reported structures, this compound is a subject of interest for researchers investigating the interplay between heavy metal cations and borate frameworks.

At a glance

Key Properties

Cross-validated computational properties for TlBO2, aggregated across 3 databases.

Band Gap

2.87 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, 2 space groups
Uses

Applications

Where TlBO2 is used.

Materials science researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about TlBO2, answered from cross-validated data.

What is TlBO2?

TlBO2 is a stable semiconducting thallium borate compound.

More questions
What is TlBO2 used for?
TlBO2 is used in materials science research and solid-state chemistry studies.
What is the band gap of TlBO2?
TlBO2 has a DFT-computed band gap of 2.87 eV across 5 reported structures.
Is TlBO2 a metal, semiconductor, or insulator?
With a band gap up to 2.87 eV it is a semiconductor.
Is TlBO2 thermodynamically stable?
Yes — TlBO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of TlBO2 are known?
5 structures of TlBO2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does TlBO2 contain?
TlBO2 contains B, O, and Tl (3 elements).
Where does the data for TlBO2 come from?
TlBO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable phase, TlBO2 serves as a foundational reference point for thallium-based borate chemistry, providing a baseline for structural and electronic behavior in this class of materials.

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

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