N3O6Tl3

thallium(I) nitrate · thallous nitrate

Thallium(I) nitrate is a semiconducting inorganic salt containing thallium, nitrogen, and oxygen that is primarily used in specialized chemical research.

NOTl
Crystal structure of N3O6Tl3
Ground-state structure · Materials Project
Overview

About thallium(I) nitrate

Thallium(I) nitrate is a crystalline inorganic compound composed of thallium, nitrogen, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from typical ionic salts, making it a subject of interest for fundamental structural studies. Its existence across multiple reported structures highlights its complex polymorphic nature in the solid state. Although it is thermodynamically situated above the hull, it remains a notable example of thallium-based chemistry. Its role is primarily centered on laboratory research and specialized chemical synthesis where thallium precursors are required.

At a glance

Key Properties

Cross-validated computational properties for thallium(I) nitrate, aggregated across 3 databases.

Band Gap

1.64–1.73 eV
Range across DFT structures

Energy Above Hull

0.102 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

5
3 databases, 2 space groups
Uses

Applications

Where thallium(I) nitrate is used.

Chemical synthesisLaboratory reagentMaterial science research
Reference

Frequently Asked Questions

Common questions about thallium(I) nitrate, answered from cross-validated data.

What is N3O6Tl3?

Thallium(I) nitrate is a semiconducting inorganic salt containing thallium, nitrogen, and oxygen that is primarily used in specialized chemical research.

More questions
What is N3O6Tl3 used for?
thallium(I) nitrate (N3O6Tl3) is used in chemical synthesis, laboratory reagent, and material science research.
What is the band gap of N3O6Tl3?
thallium(I) nitrate (N3O6Tl3) has a DFT-computed band gap of 1.64–1.73 eV across 5 reported structures.
Is N3O6Tl3 a metal, semiconductor, or insulator?
With a band gap up to 1.73 eV it is a semiconductor.
Is N3O6Tl3 thermodynamically stable?
thallium(I) nitrate (N3O6Tl3) has a lowest energy above hull of 0.102 eV/atom (above hull).
How many polymorphs of N3O6Tl3 are known?
5 structures of N3O6Tl3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does N3O6Tl3 contain?
thallium(I) nitrate (N3O6Tl3) contains N, O, and Tl (3 elements).
Where does the data for N3O6Tl3 come from?
N3O6Tl3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a singular entry in this context, thallium(I) nitrate serves as a representative of heavy-metal nitrogen-oxygen compounds. Unlike more common alkali metal nitrates, the inclusion of thallium introduces significant relativistic effects that influence its electronic character and structural stability, marking it as a distinct and chemically reactive member of the nitrate family.

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

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