NaTlO2

NaTlO2 is a thermodynamically stable, semiconducting ternary oxide known for its structural diversity and potential utility in materials research.

NaOTl
Crystal structure of NaTlO2
Ground-state structure · Materials Project
Overview

About NaTlO2

NaTlO2 is a thermodynamically stable ternary oxide that sits firmly on the convex hull, indicating significant structural robustness. As a semiconducting material, it offers unique electronic properties that distinguish it from simple binary oxides, making it a subject of interest for fundamental solid-state studies.

With a diverse range of reported structural configurations across multiple databases, this compound is well-characterized in the scientific literature. Its stability and semiconducting nature provide a versatile platform for exploring complex oxide chemistry and potential functional applications in electronic devices.

At a glance

Key Properties

Cross-validated computational properties for NaTlO2, aggregated across 3 databases.

Band Gap

0.62–0.71 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

15
3 databases, 3 space groups
Uses

Applications

Where NaTlO2 is used.

Solid-state electronic researchMaterials science characterizationFundamental oxide chemistry studies
Reference

Frequently Asked Questions

Common questions about NaTlO2, answered from cross-validated data.

What is NaTlO2?

NaTlO2 is a thermodynamically stable, semiconducting ternary oxide known for its structural diversity and potential utility in materials research.

More questions
What is NaTlO2 used for?
NaTlO2 is used in solid-state electronic research, materials science characterization, and fundamental oxide chemistry studies.
What is the band gap of NaTlO2?
NaTlO2 has a DFT-computed band gap of 0.62–0.71 eV across 15 reported structures.
Is NaTlO2 a metal, semiconductor, or insulator?
With a band gap up to 0.71 eV it is a semiconductor.
Is NaTlO2 thermodynamically stable?
Yes — NaTlO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NaTlO2 are known?
15 structures of NaTlO2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does NaTlO2 contain?
NaTlO2 contains Na, O, and Tl (3 elements).
Where does the data for NaTlO2 come from?
NaTlO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct ternary oxide, NaTlO2 occupies a specialized niche in materials science. Unlike simpler binary systems, its complex composition allows for nuanced electronic tuning, positioning it as an important reference point for researchers investigating the stability and behavior of alkali-thallium-oxygen frameworks.

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

Analyze NaTlO2 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →