Ba2In1Na1
Ba2In1Na1 is a semiconducting ternary intermetallic compound that is theoretically stable enough to be synthesized for materials science applications.
About Ba2In1Na1
Ba2In1Na1 is a complex ternary intermetallic compound composed of barium, indium, and sodium. It exhibits semiconducting electronic behavior, positioning it as an intriguing candidate for specialized electronic and optoelectronic material studies.
Due to its near-hull thermodynamic stability, the compound is considered a viable target for experimental synthesis. Its presence within structural databases highlights its potential as a building block in the development of novel inorganic materials.
Key Properties
Cross-validated computational properties for Ba2In1Na1, aggregated across 2 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 Ba2In1Na1, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0185 | -2.191 | 4.05 |
| Immm (No. 71) | orthorhombic | 0.14 | 1.2113 | -0.998 | 0.32 |
| F-43m (No. 216) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Ba2In1Na1 is used.
Frequently Asked Questions
Common questions about Ba2In1Na1, answered from cross-validated data.
What is Ba2In1Na1?
Ba2In1Na1 is a semiconducting ternary intermetallic compound that is theoretically stable enough to be synthesized for materials science applications.
What is Ba2In1Na1 used for?
What is the band gap of Ba2In1Na1?
Is Ba2In1Na1 a metal, semiconductor, or insulator?
Is Ba2In1Na1 thermodynamically stable?
What is the crystal structure of Ba2In1Na1?
What is the density of Ba2In1Na1?
How many polymorphs of Ba2In1Na1 are known?
What elements does Ba2In1Na1 contain?
Where does the data for Ba2In1Na1 come from?
How It Compares
As a unique ternary phase, Ba2In1Na1 serves as a distinct example of how alkaline earth and post-transition metals can combine with alkali elements to form stable semiconducting architectures in the absence of more common structural analogues.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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