Tl2MoO4

Tl2MoO4 is a stable, wide-gap insulating inorganic compound composed of thallium, molybdenum, and oxygen.

MoOTl
Crystal structure of Tl2MoO4
Ground-state structure · Materials Project
Overview

About Tl2MoO4

Tl2MoO4 is a structurally rich inorganic compound that exists as a thermodynamically stable phase. Its electronic character is defined by a wide band gap, classifying it as an insulator that is of interest for fundamental solid-state studies.

Because it sits on the convex hull, this material exhibits robust stability. Its presence across multiple structural databases underscores its significance as a well-characterized member of the thallium-molybdenum-oxygen system.

At a glance

Key Properties

Cross-validated computational properties for Tl2MoO4, aggregated across 3 databases.

Band Gap

3.28–3.46 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

7
3 databases, 2 space groups
Uses

Applications

Where Tl2MoO4 is used.

Solid-state researchMaterials science characterization
Reference

Frequently Asked Questions

Common questions about Tl2MoO4, answered from cross-validated data.

What is Tl2MoO4?

Tl2MoO4 is a stable, wide-gap insulating inorganic compound composed of thallium, molybdenum, and oxygen.

More questions
What is Tl2MoO4 used for?
Tl2MoO4 is used in solid-state research and materials science characterization.
What is the band gap of Tl2MoO4?
Tl2MoO4 has a DFT-computed band gap of 3.28–3.46 eV across 7 reported structures.
Is Tl2MoO4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.46 eV it is an insulator / wide-band-gap material.
Is Tl2MoO4 thermodynamically stable?
Yes — Tl2MoO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Tl2MoO4 are known?
7 structures of Tl2MoO4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Tl2MoO4 contain?
Tl2MoO4 contains Mo, O, and Tl (3 elements).
Where does the data for Tl2MoO4 come from?
Tl2MoO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone entry in this context, Tl2MoO4 serves as a primary reference point for the thallium molybdate family, demonstrating the structural versatility inherent in heavy-metal oxo-anion systems.

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

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