Ba2SrI6

Ba2SrI6 is a wide-band-gap insulating halide compound that exhibits thermodynamic stability and potential for use in radiation detection.

BaISr
Crystal structure of Ba2SrI6
Ground-state structure · Materials Project
Overview

About Ba2SrI6

Ba2SrI6 is an insulating complex halide that features a wide band gap, making it a subject of interest for optoelectronic and sensing technologies. Its electronic structure is characterized by high transparency and potential for efficient charge transport, which are critical traits for materials designed to interact with high-energy radiation.

As a near-hull material, this compound is considered thermodynamically stable and likely synthesizable under appropriate laboratory conditions. The significant body of structural data available for this composition underscores its importance in the study of halide-based materials and their potential for solid-state device integration.

At a glance

Key Properties

Cross-validated computational properties for Ba2SrI6, aggregated across 3 databases.

Band Gap

2.57–4.06 eV
Range across DFT structures

Energy Above Hull

0.014 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

35
3 databases, 10 space groups
Uses

Applications

Where Ba2SrI6 is used.

Radiation detectionOptoelectronic devicesSolid-state sensors
Reference

Frequently Asked Questions

Common questions about Ba2SrI6, answered from cross-validated data.

What is Ba2SrI6?

Ba2SrI6 is a wide-band-gap insulating halide compound that exhibits thermodynamic stability and potential for use in radiation detection.

More questions
What is Ba2SrI6 used for?
Ba2SrI6 is used in radiation detection, optoelectronic devices, and solid-state sensors.
What is the band gap of Ba2SrI6?
Ba2SrI6 has a DFT-computed band gap of 2.57–4.06 eV across 35 reported structures.
Is Ba2SrI6 a metal, semiconductor, or insulator?
With a wide band gap up to 4.06 eV it is an insulator / wide-band-gap material.
Is Ba2SrI6 thermodynamically stable?
Ba2SrI6 has a lowest energy above hull of 0.014 eV/atom (near hull (likely stable)).
How many polymorphs of Ba2SrI6 are known?
35 structures of Ba2SrI6 are reported across 3 databases, spanning 10 distinct space groups.
What elements does Ba2SrI6 contain?
Ba2SrI6 contains Ba, I, and Sr (3 elements).
Where does the data for Ba2SrI6 come from?
Ba2SrI6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique member of the complex halide family, Ba2SrI6 serves as a structural archetype for exploring the interplay between alkaline-earth elements and iodine. Its stability profile positions it as a viable candidate for further experimental investigation within the broader landscape of insulating halide materials.

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

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