TaO2

TaO2 is a metastable semiconducting oxide of tantalum characterized by a wide variety of reported structural configurations.

OTa
Crystal structure of TaO2
Ground-state structure · Materials Project
Overview

About TaO2

TaO2 is a tantalum-based oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a complex structural arrangement within the tantalum-oxygen system, offering unique pathways for material synthesis and characterization.

Its existence is supported by a significant volume of structural data, making it a subject of interest for researchers investigating non-equilibrium oxide phases. The compound's electronic profile suggests potential utility in specialized semiconductor applications where specific structural metastability is required.

At a glance

Key Properties

Cross-validated computational properties for TaO2, aggregated across 3 databases.

Band Gap

0.43–0.77 eV
Range across DFT structures

Energy Above Hull

0.069 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

437
3 databases, 42 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting TaO2.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where TaO2 is used.

Semiconductor researchMaterials science studiesSolid-state electronic development
Reference

Frequently Asked Questions

Common questions about TaO2, answered from cross-validated data.

What is TaO2?

TaO2 is a metastable semiconducting oxide of tantalum characterized by a wide variety of reported structural configurations.

More questions
What is TaO2 used for?
TaO2 is used in semiconductor research, materials science studies, and solid-state electronic development.
What is the band gap of TaO2?
TaO2 has a DFT-computed band gap of 0.43–0.77 eV across 437 reported structures.
Is TaO2 a metal, semiconductor, or insulator?
With a band gap up to 0.77 eV it is a semiconductor.
Is TaO2 thermodynamically stable?
TaO2 has a lowest energy above hull of 0.069 eV/atom (metastable).
How many polymorphs of TaO2 are known?
437 structures of TaO2 are reported across 3 databases, spanning 42 distinct space groups.
How is TaO2 synthesized?
Literature-reported routes for TaO2 include solid state.
What elements does TaO2 contain?
TaO2 contains O and Ta (2 elements).
Where does the data for TaO2 come from?
TaO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a metastable oxide, TaO2 occupies a distinct niche in the study of tantalum-oxygen compounds, serving as a critical reference point for understanding the diverse structural landscape of transition metal oxides beyond the more common stoichiometric phases.

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

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