NbHO3

NbHO3 is a metastable, semiconducting inorganic compound composed of niobium, hydrogen, and oxygen.

HNbO
Crystal structure of NbHO3
Ground-state structure · Materials Project
Overview

About NbHO3

NbHO3 is a metastable inorganic compound characterized by its semiconducting electronic nature. As a complex oxide containing hydrogen, it represents a specialized chemical system that requires precise synthesis conditions to maintain its structural integrity. Its existence in multiple reported configurations highlights its role as a subject of interest for fundamental materials research. The compound is significant for researchers exploring the intersection of hydrogen-doped transition metal oxides and semiconducting behavior. Its metastable state suggests potential for tunable properties, making it a candidate for studies focused on phase stability and electronic modulation in advanced solid-state materials.

At a glance

Key Properties

Cross-validated computational properties for NbHO3, aggregated across 3 databases.

Band Gap

2.53–2.62 eV
Range across DFT structures

Energy Above Hull

0.034 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

15
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about NbHO3, answered from cross-validated data.

What is NbHO3?

NbHO3 is a metastable, semiconducting inorganic compound composed of niobium, hydrogen, and oxygen.

More questions
What is the band gap of NbHO3?
NbHO3 has a DFT-computed band gap of 2.53–2.62 eV across 15 reported structures.
Is NbHO3 a metal, semiconductor, or insulator?
With a band gap up to 2.62 eV it is a semiconductor.
Is NbHO3 thermodynamically stable?
NbHO3 has a lowest energy above hull of 0.034 eV/atom (metastable).
How many polymorphs of NbHO3 are known?
15 structures of NbHO3 are reported across 3 databases, spanning 1 distinct space group.
What elements does NbHO3 contain?
NbHO3 contains H, Nb, and O (3 elements).
Where does the data for NbHO3 come from?
NbHO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic compound, NbHO3 occupies a specialized niche within the broader landscape of transition metal oxides. Without direct structural siblings in this specific classification, it stands as a distinct example of how hydrogen incorporation can influence the electronic landscape of niobium-based systems, serving as a reference point for future investigations into metastable semiconducting oxides.

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

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