Ba1Bi1Mg1

Ba1Bi1Mg1 is a thermodynamically stable semiconducting intermetallic compound composed of barium, bismuth, and magnesium.

BaBiMg
Overview

About Ba1Bi1Mg1

Ba1Bi1Mg1 is a distinct intermetallic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of barium, bismuth, and magnesium atoms. Its stability suggests a favorable energetic state that makes it a compelling subject for fundamental solid-state research.

The material is notable for its well-defined structural identity, supported by multiple reported configurations in crystallographic databases. By bridging the chemistry of alkaline earth metals and pnictogens, this compound serves as a valuable model for understanding complex bonding environments in ternary systems.

At a glance

Key Properties

Cross-validated computational properties for Ba1Bi1Mg1, aggregated across 3 databases.

Band Gap

0.40 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

11
3 databases, 7 space groups
Reference

Frequently Asked Questions

Common questions about Ba1Bi1Mg1, answered from cross-validated data.

What is Ba1Bi1Mg1?

Ba1Bi1Mg1 is a thermodynamically stable semiconducting intermetallic compound composed of barium, bismuth, and magnesium.

More questions
What is the band gap of Ba1Bi1Mg1?
Ba1Bi1Mg1 has a DFT-computed band gap of 0.40 eV across 11 reported structures.
Is Ba1Bi1Mg1 a metal, semiconductor, or insulator?
With a band gap up to 0.40 eV it is a semiconductor.
Is Ba1Bi1Mg1 thermodynamically stable?
Yes — Ba1Bi1Mg1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ba1Bi1Mg1 are known?
11 structures of Ba1Bi1Mg1 are reported across 3 databases, spanning 7 distinct space groups.
What elements does Ba1Bi1Mg1 contain?
Ba1Bi1Mg1 contains Ba, Bi, and Mg (3 elements).
Where does the data for Ba1Bi1Mg1 come from?
Ba1Bi1Mg1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Ba1Bi1Mg1 serves as a foundational example of stable semiconducting intermetallics, providing a benchmark for future studies into similar multi-element systems where electronic and structural stability are prioritized.

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

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