Ca1Ga1H1Sn1

Ca1Ga1H1Sn1 is a metastable, semiconducting quaternary hydride investigated for its potential role in advanced hydrogen storage technologies.

Crystal structure of Ca1Ga1H1Sn1
Ground-state structure · Materials Project
Overview

About Ca1Ga1H1Sn1

Ca1Ga1H1Sn1 is a complex quaternary hydride that functions as a semiconducting material. Its unique elemental composition makes it a subject of interest for researchers investigating novel pathways for reversible hydrogen storage and solid-state energy applications. As a metastable phase, this compound represents a specialized niche within hydride chemistry. It is primarily studied to understand how the integration of heavy elements like gallium and tin influences the structural stability and hydrogen-binding characteristics of metal hydride systems.

At a glance

Key Properties

Cross-validated computational properties for Ca1Ga1H1Sn1, aggregated across 3 databases.

Band Gap

0.25 eV
Range across DFT structures

Energy Above Hull

0.057 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

3
3 databases, 2 space groups
Uses

Applications

Where Ca1Ga1H1Sn1 is used.

Hydrogen storage researchSolid-state energy materials development
Reference

Frequently Asked Questions

Common questions about Ca1Ga1H1Sn1, answered from cross-validated data.

What is Ca1Ga1H1Sn1?

Ca1Ga1H1Sn1 is a metastable, semiconducting quaternary hydride investigated for its potential role in advanced hydrogen storage technologies.

More questions
What is Ca1Ga1H1Sn1 used for?
Ca1Ga1H1Sn1 is used in hydrogen storage research and solid-state energy materials development.
What is the band gap of Ca1Ga1H1Sn1?
Ca1Ga1H1Sn1 has a DFT-computed band gap of 0.25 eV across 3 reported structures.
Is Ca1Ga1H1Sn1 a metal, semiconductor, or insulator?
With a band gap up to 0.25 eV it is a semiconductor.
Is Ca1Ga1H1Sn1 thermodynamically stable?
Ca1Ga1H1Sn1 has a lowest energy above hull of 0.057 eV/atom (metastable).
How many polymorphs of Ca1Ga1H1Sn1 are known?
3 structures of Ca1Ga1H1Sn1 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ca1Ga1H1Sn1 contain?
Ca1Ga1H1Sn1 contains Ca, Ga, H, and Sn (4 elements).
Where does the data for Ca1Ga1H1Sn1 come from?
Ca1Ga1H1Sn1 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the hydrogen storage hydrides class.

Unlike the highly stable and widely utilized binary hydrides such as MgH2 or CaH2, Ca1Ga1H1Sn1 exists in a metastable state, which often presents different kinetic challenges for hydrogen release. While simple hydrides like LiH are foundational benchmarks for gravimetric density, this complex quaternary compound offers a more intricate electronic environment that may tune hydrogen interactions differently than the more conventional members of the class.

Explore

Related Compounds

Other Hydrogen Storage Hydrides in the database.

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

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