Rb3MgH5

Rb3MgH5 is a complex insulating hydride material investigated for its potential role in advanced hydrogen storage applications.

Crystal structure of Rb3MgH5
Ground-state structure · Materials Project
Overview

About Rb3MgH5

Rb3MgH5 is a complex hydride belonging to the class of hydrogen storage materials. As a wide-band-gap insulator, it exhibits distinct electronic properties that differentiate it from simpler metallic or covalent hydrides, making it a subject of interest for fundamental solid-state chemistry research.

This compound is considered near-hull in terms of thermodynamic stability, suggesting it is a viable candidate for experimental synthesis. Its role in the field is primarily focused on understanding how alkali and alkaline-earth elements can be combined to optimize hydrogen density and release characteristics for future storage technologies.

At a glance

Key Properties

Cross-validated computational properties for Rb3MgH5, aggregated across 3 databases.

Band Gap

3.05–3.34 eV
Range across DFT structures

Energy Above Hull

0.008 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

6
3 databases, 2 space groups
Uses

Applications

Where Rb3MgH5 is used.

Hydrogen storage researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Rb3MgH5, answered from cross-validated data.

What is Rb3MgH5?

Rb3MgH5 is a complex insulating hydride material investigated for its potential role in advanced hydrogen storage applications.

More questions
What is Rb3MgH5 used for?
Rb3MgH5 is used in hydrogen storage research and solid-state chemistry studies.
What is the band gap of Rb3MgH5?
Rb3MgH5 has a DFT-computed band gap of 3.05–3.34 eV across 6 reported structures.
Is Rb3MgH5 a metal, semiconductor, or insulator?
With a wide band gap up to 3.34 eV it is an insulator / wide-band-gap material.
Is Rb3MgH5 thermodynamically stable?
Rb3MgH5 has a lowest energy above hull of 0.008 eV/atom (near hull (likely stable)).
How many polymorphs of Rb3MgH5 are known?
6 structures of Rb3MgH5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Rb3MgH5 contain?
Rb3MgH5 contains H, Mg, and Rb (3 elements).
Where does the data for Rb3MgH5 come from?
Rb3MgH5 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the hydrogen storage hydrides class.

Within the diverse landscape of hydrogen storage hydrides, Rb3MgH5 represents a more complex structural arrangement compared to binary systems like MgH2 or LiH. While simple hydrides like MgH2 are well-established benchmarks for hydrogen capacity, Rb3MgH5 offers a unique chemical environment that may provide different kinetic or thermodynamic pathways for hydrogen uptake and release.

Explore

Related Compounds

Other Hydrogen Storage Hydrides in the database.

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

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