Ta2H4O7

Ta2H4O7 is a metastable, wide-gap insulating compound consisting of tantalum, hydrogen, and oxygen.

HOTa
Crystal structure of Ta2H4O7
Ground-state structure · Materials Project
Overview

About Ta2H4O7

Ta2H4O7 is an insulating, wide-gap compound composed of tantalum, hydrogen, and oxygen. As a metastable phase, it represents a complex structural arrangement that challenges conventional synthesis pathways and offers unique insights into the coordination chemistry of hydrogen-containing tantalum oxides. Its electronic character positions it as a potential candidate for specialized dielectric or insulating applications where wide-gap materials are required. The material is characterized by a significant diversity in its reported structural configurations, highlighting its flexibility and the interest it garners within computational materials databases. This structural variety underscores the importance of understanding its thermodynamic landscape for future material design.

At a glance

Key Properties

Cross-validated computational properties for Ta2H4O7, aggregated across 3 databases.

Band Gap

0.38–4.03 eV
Range across DFT structures

Energy Above Hull

0.042 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

22
3 databases, 4 space groups
Uses

Applications

Where Ta2H4O7 is used.

Materials science researchDielectric material studiesSolid-state chemistry modeling
Reference

Frequently Asked Questions

Common questions about Ta2H4O7, answered from cross-validated data.

What is Ta2H4O7?

Ta2H4O7 is a metastable, wide-gap insulating compound consisting of tantalum, hydrogen, and oxygen.

More questions
What is Ta2H4O7 used for?
Ta2H4O7 is used in materials science research, dielectric material studies, and solid-state chemistry modeling.
What is the band gap of Ta2H4O7?
Ta2H4O7 has a DFT-computed band gap of 0.38–4.03 eV across 22 reported structures.
Is Ta2H4O7 a metal, semiconductor, or insulator?
With a wide band gap up to 4.03 eV it is an insulator / wide-band-gap material.
Is Ta2H4O7 thermodynamically stable?
Ta2H4O7 has a lowest energy above hull of 0.042 eV/atom (metastable).
How many polymorphs of Ta2H4O7 are known?
22 structures of Ta2H4O7 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Ta2H4O7 contain?
Ta2H4O7 contains H, O, and Ta (3 elements).
Where does the data for Ta2H4O7 come from?
Ta2H4O7 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique, metastable phase within the broader landscape of tantalum-based oxides, Ta2H4O7 serves as a distinct example of how hydrogen incorporation can influence the structural stability and electronic properties of metal oxide frameworks.

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

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