BaLaI5

BaLaI5 is a metastable semiconducting ternary iodide compound utilized primarily in fundamental materials research.

BaILa
Crystal structure of BaLaI5
Ground-state structure · Materials Project
Overview

About BaLaI5

BaLaI5 is a complex ternary iodide composed of barium, lanthanum, and iodine. As a semiconducting material, it represents a specialized niche within halide chemistry, offering unique electronic characteristics that distinguish it from simple binary salts.

Despite its metastable nature, the compound has been the subject of significant structural investigation, appearing across multiple materials databases. Its existence in various configurations highlights the intricate bonding environments possible within heavy-metal iodide systems.

At a glance

Key Properties

Cross-validated computational properties for BaLaI5, aggregated across 3 databases.

Band Gap

2.10–2.72 eV
Range across DFT structures

Energy Above Hull

0.026 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

22
3 databases, 5 space groups
Uses

Applications

Where BaLaI5 is used.

Solid-state materials researchFundamental crystallographic studies
Reference

Frequently Asked Questions

Common questions about BaLaI5, answered from cross-validated data.

What is BaLaI5?

BaLaI5 is a metastable semiconducting ternary iodide compound utilized primarily in fundamental materials research.

More questions
What is BaLaI5 used for?
BaLaI5 is used in solid-state materials research and fundamental crystallographic studies.
What is the band gap of BaLaI5?
BaLaI5 has a DFT-computed band gap of 2.10–2.72 eV across 22 reported structures.
Is BaLaI5 a metal, semiconductor, or insulator?
With a band gap up to 2.72 eV it is a semiconductor.
Is BaLaI5 thermodynamically stable?
BaLaI5 has a lowest energy above hull of 0.026 eV/atom (metastable).
How many polymorphs of BaLaI5 are known?
22 structures of BaLaI5 are reported across 3 databases, spanning 5 distinct space groups.
What elements does BaLaI5 contain?
BaLaI5 contains Ba, I, and La (3 elements).
Where does the data for BaLaI5 come from?
BaLaI5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary halide, BaLaI5 occupies a specialized position in materials science where its metastability makes it a fascinating subject for synthesis and phase stability studies compared to more conventional, highly stable ionic compounds.

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

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