Ba2MgNa
Ba2MgNa is a semiconducting intermetallic compound composed of barium, magnesium, and sodium that exhibits potential thermodynamic instability.
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.
Key Properties
Cross-validated computational properties for Ba2MgNa, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Ba2MgNa, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.13 | 1.1980 | -0.530 | 0.23 |
| Cm (No. 8) | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | 2.66 |
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.
What is the band gap of Ba2MgNa?
Is Ba2MgNa a metal, semiconductor, or insulator?
Is Ba2MgNa thermodynamically stable?
What is the crystal structure of Ba2MgNa?
What is the density of Ba2MgNa?
How many polymorphs of Ba2MgNa are known?
What elements does Ba2MgNa contain?
Where does the data for Ba2MgNa come from?
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
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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