Ba2Sb3

Ba2Sb3 is a thermodynamically stable semiconducting intermetallic compound formed from barium and antimony.

BaSb
Crystal structure of Ba2Sb3
Ground-state structure · Materials Project
Overview

About Ba2Sb3

Ba2Sb3 is a thermodynamically stable intermetallic compound composed of barium and antimony. As a member of the pnictide family, it exhibits semiconducting electronic characteristics that make it a subject of interest for fundamental solid-state physics and materials science investigations.

Its position on the convex hull confirms its inherent stability, which is supported by extensive structural data across multiple databases. This stability allows researchers to study its electronic behavior in detail, providing insights into the bonding and structural arrangements typical of complex barium-antimony systems.

At a glance

Key Properties

Cross-validated computational properties for Ba2Sb3, aggregated across 4 databases.

Band Gap

0.32 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

14
4 databases, 6 space groups
Uses

Applications

Where Ba2Sb3 is used.

Solid-state researchMaterials science characterization
Reference

Frequently Asked Questions

Common questions about Ba2Sb3, answered from cross-validated data.

What is Ba2Sb3?

Ba2Sb3 is a thermodynamically stable semiconducting intermetallic compound formed from barium and antimony.

More questions
What is Ba2Sb3 used for?
Ba2Sb3 is used in solid-state research and materials science characterization.
What is the band gap of Ba2Sb3?
Ba2Sb3 has a DFT-computed band gap of 0.32 eV across 14 reported structures.
Is Ba2Sb3 a metal, semiconductor, or insulator?
With a band gap up to 0.32 eV it is a semiconductor.
Is Ba2Sb3 thermodynamically stable?
Yes — Ba2Sb3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ba2Sb3 are known?
14 structures of Ba2Sb3 are reported across 4 databases, spanning 6 distinct space groups.
What elements does Ba2Sb3 contain?
Ba2Sb3 contains Ba and Sb (2 elements).
Where does the data for Ba2Sb3 come from?
Ba2Sb3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable semiconducting phase, Ba2Sb3 represents a well-defined structural configuration within the barium-antimony binary system. It serves as a benchmark for understanding how stoichiometry influences the electronic properties of pnictide-based materials in the absence of other closely related phases.

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

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