Ba2ISb

Ba2ISb is a semiconducting ternary compound consisting of barium, iodine, and antimony that has been identified in several distinct structural arrangements.

BaISb
Crystal structure of Ba2ISb
Ground-state structure · Materials Project
Overview

About Ba2ISb

Ba2ISb is a ternary inorganic compound composed of barium, iodine, and antimony. As a semiconducting material, it represents a complex arrangement of elements that has been documented across multiple structural databases, reflecting significant interest in its potential chemical configurations.

While this compound is currently identified as residing above the thermodynamic hull, its existence in multiple structural forms suggests a rich landscape for further investigation. Understanding its electronic properties is essential for evaluating its role in specialized material science applications.

At a glance

Key Properties

Cross-validated computational properties for Ba2ISb, aggregated across 3 databases.

Band Gap

0.83 eV
Range across DFT structures

Energy Above Hull

1.179 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

6
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about Ba2ISb, answered from cross-validated data.

What is Ba2ISb?

Ba2ISb is a semiconducting ternary compound consisting of barium, iodine, and antimony that has been identified in several distinct structural arrangements.

More questions
What is the band gap of Ba2ISb?
Ba2ISb has a DFT-computed band gap of 0.83 eV across 6 reported structures.
Is Ba2ISb a metal, semiconductor, or insulator?
With a band gap up to 0.83 eV it is a semiconductor.
Is Ba2ISb thermodynamically stable?
Ba2ISb has a lowest energy above hull of 1.179 eV/atom (above hull).
How many polymorphs of Ba2ISb are known?
6 structures of Ba2ISb are reported across 3 databases, spanning 1 distinct space group.
What elements does Ba2ISb contain?
Ba2ISb contains Ba, I, and Sb (3 elements).
Where does the data for Ba2ISb come from?
Ba2ISb data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Ba2ISb occupies a distinct position within its chemical system. Unlike more common, highly stable binary semiconductors, this compound serves as an example of the structural diversity possible when incorporating heavy alkaline earth metals with pnictogens and halides.

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

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