Ba2MgNa

Ba2MgNa is a semiconducting intermetallic compound composed of barium, magnesium, and sodium that exhibits potential thermodynamic instability.

BaMgNa
Crystal structure of Ba2MgNa
Ground-state structure · Materials Project
Overview

About Ba2MgNa

Ba2MgNa is a ternary intermetallic compound composed of barium, magnesium, and sodium. It exhibits semiconducting electronic characteristics, placing it in a distinct category of materials that bridge the gap between metallic conductors and insulating solids.

Due to its position above the thermodynamic hull, this compound is considered potentially unstable under standard conditions. Despite this, it remains a subject of interest in structural databases, with multiple reported configurations that provide insight into the complex bonding environments of alkaline earth and alkali metal systems.

At a glance

Key Properties

Cross-validated computational properties for Ba2MgNa, aggregated across 4 databases.

Band Gap

0.13 eV
Range across DFT structures

Energy Above Hull

1.198 eV/atom
Best (lowest) across sources

Stability

Above hull
3 DFT sources

Structures

4
4 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about Ba2MgNa, answered from cross-validated data.

What is Ba2MgNa?

Ba2MgNa is a semiconducting intermetallic compound composed of barium, magnesium, and sodium that exhibits potential thermodynamic instability.

More questions
What is the band gap of Ba2MgNa?
Ba2MgNa has a DFT-computed band gap of 0.13 eV across 4 reported structures.
Is Ba2MgNa a metal, semiconductor, or insulator?
With a band gap up to 0.13 eV it is a semiconductor.
Is Ba2MgNa thermodynamically stable?
Ba2MgNa has a lowest energy above hull of 1.198 eV/atom (above hull).
How many polymorphs of Ba2MgNa are known?
4 structures of Ba2MgNa are reported across 4 databases, spanning 2 distinct space groups.
What elements does Ba2MgNa contain?
Ba2MgNa contains Ba, Mg, and Na (3 elements).
Where does the data for Ba2MgNa come from?
Ba2MgNa data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary intermetallic phase, Ba2MgNa represents a specialized structural arrangement of its constituent elements. Without direct structural siblings, it serves as a critical case study for understanding the synthesis challenges and metastability inherent in complex barium-magnesium-sodium systems.

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

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