BaH2O3

BaH2O3 is a thermodynamically stable, semiconducting inorganic compound characterized by its structural reliability and potential for specialized electronic applications.

BaHO
Crystal structure of BaH2O3
Ground-state structure · Materials Project
Overview

About BaH2O3

BaH2O3 is a thermodynamically stable compound that occupies a position on the convex hull, indicating significant structural robustness. As a semiconducting material, it offers unique electronic properties that distinguish it from purely metallic or insulating phases within its elemental composition. Its existence across multiple structural databases highlights its importance as a subject of ongoing research in solid-state chemistry. The material is primarily investigated for its potential utility in specialized electronic applications where stable, semiconducting behavior is required. By balancing its elemental constituents, BaH2O3 provides a stable framework that researchers utilize to explore the intersection of hydrogen-bearing compounds and barium-based inorganic systems.

At a glance

Key Properties

Cross-validated computational properties for BaH2O3, aggregated across 3 databases.

Band Gap

0.12–2.86 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

14
3 databases, 6 space groups
Uses

Applications

Where BaH2O3 is used.

Solid-state electronic researchMaterials science explorationAdvanced inorganic synthesis
Reference

Frequently Asked Questions

Common questions about BaH2O3, answered from cross-validated data.

What is BaH2O3?

BaH2O3 is a thermodynamically stable, semiconducting inorganic compound characterized by its structural reliability and potential for specialized electronic applications.

More questions
What is BaH2O3 used for?
BaH2O3 is used in solid-state electronic research, materials science exploration, and advanced inorganic synthesis.
What is the band gap of BaH2O3?
BaH2O3 has a DFT-computed band gap of 0.12–2.86 eV across 14 reported structures.
Is BaH2O3 a metal, semiconductor, or insulator?
With a band gap up to 2.86 eV it is a semiconductor.
Is BaH2O3 thermodynamically stable?
Yes — BaH2O3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BaH2O3 are known?
14 structures of BaH2O3 are reported across 3 databases, spanning 6 distinct space groups.
What elements does BaH2O3 contain?
BaH2O3 contains Ba, H, and O (3 elements).
Where does the data for BaH2O3 come from?
BaH2O3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct inorganic phase, BaH2O3 represents a stable configuration within its chemical system. Unlike more common or simpler binary oxides, this compound incorporates hydrogen into its lattice, placing it in a specialized category of materials that require precise control over synthesis conditions to maintain its structural integrity.

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

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