Ba2CdNa
Ba2CdNa is a semiconducting ternary intermetallic compound that exhibits metastable characteristics.
About Ba2CdNa
Ba2CdNa is a complex ternary intermetallic compound characterized by its semiconducting electronic behavior. Its composition, involving barium, cadmium, and sodium, places it in a unique structural category where electronic properties are highly sensitive to atomic arrangement.
Due to its position above the thermodynamic hull, this material is considered metastable, which makes it a subject of interest for researchers studying phase stability and synthesis pathways. Its existence across multiple structural databases highlights its role as a notable, albeit challenging, target for computational materials design.
Key Properties
Cross-validated computational properties for Ba2CdNa, aggregated across 3 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 Ba2CdNa, 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 | 0.16 | 1.1750 | -0.529 | 0.31 |
| — | — | — | — | — | 3.96 |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | 3.43 |
Frequently Asked Questions
Common questions about Ba2CdNa, answered from cross-validated data.
What is Ba2CdNa?
Ba2CdNa is a semiconducting ternary intermetallic compound that exhibits metastable characteristics.
What is the band gap of Ba2CdNa?
Is Ba2CdNa a metal, semiconductor, or insulator?
Is Ba2CdNa thermodynamically stable?
What is the crystal structure of Ba2CdNa?
What is the density of Ba2CdNa?
How many polymorphs of Ba2CdNa are known?
What elements does Ba2CdNa contain?
Where does the data for Ba2CdNa come from?
How It Compares
As a unique ternary intermetallic phase, Ba2CdNa serves as a standalone example of how alkali and alkaline earth metals can combine with transition metals to produce semiconducting behavior. It represents a specific case study in the broader landscape of complex intermetallic compounds that do not easily conform to standard structural motifs.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
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