TaHO3

TaHO3 is a metastable, semiconducting tantalum-based compound used primarily in fundamental materials research.

HOTa
Crystal structure of TaHO3
Ground-state structure · Materials Project
Overview

About TaHO3

TaHO3 is a tantalum-based compound that exhibits semiconducting electronic behavior. As a metastable phase, it represents a specialized configuration of tantalum, hydrogen, and oxygen atoms that offers researchers a distinct window into the structural diversity of metal-hydrogen-oxygen systems.

Because it exists in a metastable state, this material is of significant interest for fundamental studies in solid-state chemistry and materials design. Its electronic character suggests potential utility in specialized electronic or optoelectronic applications where specific band structures are required.

At a glance

Key Properties

Cross-validated computational properties for TaHO3, aggregated across 3 databases.

Band Gap

2.94 eV
Range across DFT structures

Energy Above Hull

0.077 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where TaHO3 is used.

Fundamental materials researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about TaHO3, answered from cross-validated data.

What is TaHO3?

TaHO3 is a metastable, semiconducting tantalum-based compound used primarily in fundamental materials research.

More questions
What is TaHO3 used for?
TaHO3 is used in fundamental materials research and solid-state chemistry studies.
What is the band gap of TaHO3?
TaHO3 has a DFT-computed band gap of 2.94 eV across 5 reported structures.
Is TaHO3 a metal, semiconductor, or insulator?
With a band gap up to 2.94 eV it is a semiconductor.
Is TaHO3 thermodynamically stable?
TaHO3 has a lowest energy above hull of 0.077 eV/atom (metastable).
How many polymorphs of TaHO3 are known?
5 structures of TaHO3 are reported across 3 databases, spanning 1 distinct space group.
What elements does TaHO3 contain?
TaHO3 contains H, O, and Ta (3 elements).
Where does the data for TaHO3 come from?
TaHO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique tantalum-based semiconducting compound, TaHO3 serves as an intriguing subject for investigating metastable phases within the broader landscape of complex metal oxides and hydroxides.

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

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