As4Ba2

As4Ba2 is a thermodynamically stable semiconducting compound composed of barium and arsenic.

AsBa
Crystal structure of As4Ba2
Ground-state structure · Materials Project
Overview

About As4Ba2

As4Ba2 is a binary arsenide compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of barium and arsenic atoms.

This material is of significant interest in solid-state chemistry due to its structural diversity, with numerous reported configurations across various databases. Its stability and electronic properties make it a subject of ongoing investigation for potential applications in specialized semiconductor technologies.

At a glance

Key Properties

Cross-validated computational properties for As4Ba2, aggregated across 3 databases.

Band Gap

0.41 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

19
3 databases, 8 space groups
Uses

Applications

Where As4Ba2 is used.

Semiconductor researchSolid-state materials development
Reference

Frequently Asked Questions

Common questions about As4Ba2, answered from cross-validated data.

What is As4Ba2?

As4Ba2 is a thermodynamically stable semiconducting compound composed of barium and arsenic.

More questions
What is As4Ba2 used for?
As4Ba2 is used in semiconductor research and solid-state materials development.
What is the band gap of As4Ba2?
As4Ba2 has a DFT-computed band gap of 0.41 eV across 19 reported structures.
Is As4Ba2 a metal, semiconductor, or insulator?
With a band gap up to 0.41 eV it is a semiconductor.
Is As4Ba2 thermodynamically stable?
Yes — As4Ba2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of As4Ba2 are known?
19 structures of As4Ba2 are reported across 3 databases, spanning 8 distinct space groups.
What elements does As4Ba2 contain?
As4Ba2 contains As and Ba (2 elements).
Where does the data for As4Ba2 come from?
As4Ba2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone binary arsenide, As4Ba2 serves as a foundational example of stable stoichiometry within the barium-arsenic system, demonstrating the structural complexity possible in this class of semiconducting materials.

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

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