Ba1Ga1H1Sn1

Ba1Ga1H1Sn1 is a thermodynamically stable semimetallic quaternary hydride composed of barium, gallium, hydrogen, and tin.

BaGaHSn
Crystal structure of Ba1Ga1H1Sn1
Ground-state structure · Materials Project
Overview

About Ba1Ga1H1Sn1

Ba1Ga1H1Sn1 is a complex quaternary hydride featuring barium, gallium, and tin. It occupies a stable position on the convex hull, indicating significant structural integrity under standard conditions.

This material exhibits a near-zero-gap electronic character, placing it in the semimetallic regime. Its unique composition makes it a subject of interest for fundamental studies in solid-state chemistry and potential electronic device integration.

At a glance

Key Properties

Cross-validated computational properties for Ba1Ga1H1Sn1, aggregated across 3 databases.

Band Gap

0.05 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

4
3 databases, 2 space groups
Uses

Applications

Where Ba1Ga1H1Sn1 is used.

Solid-state researchFundamental materials science
Reference

Frequently Asked Questions

Common questions about Ba1Ga1H1Sn1, answered from cross-validated data.

What is Ba1Ga1H1Sn1?

Ba1Ga1H1Sn1 is a thermodynamically stable semimetallic quaternary hydride composed of barium, gallium, hydrogen, and tin.

More questions
What is Ba1Ga1H1Sn1 used for?
Ba1Ga1H1Sn1 is used in solid-state research and fundamental materials science.
What is the band gap of Ba1Ga1H1Sn1?
Ba1Ga1H1Sn1 has a DFT-computed band gap of 0.05 eV across 4 reported structures.
Is Ba1Ga1H1Sn1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Ba1Ga1H1Sn1 thermodynamically stable?
Yes — Ba1Ga1H1Sn1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ba1Ga1H1Sn1 are known?
4 structures of Ba1Ga1H1Sn1 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ba1Ga1H1Sn1 contain?
Ba1Ga1H1Sn1 contains Ba, Ga, H, and Sn (4 elements).
Where does the data for Ba1Ga1H1Sn1 come from?
Ba1Ga1H1Sn1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct quaternary phase, Ba1Ga1H1Sn1 represents a specialized structural arrangement within the broader landscape of complex metal hydrides, serving as a benchmark for stability in this chemical space.

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

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