Ba1Na2Sn1
Ba1Na2Sn1 is a semiconducting ternary compound formed from barium, sodium, and tin that exists in a metastable state.
About Ba1Na2Sn1
Ba1Na2Sn1 is a ternary intermetallic compound composed of barium, sodium, and tin. It exhibits semiconducting electronic behavior, positioning it as an interesting candidate for specialized electronic material research. As a metastable phase, it represents a complex structural arrangement that requires specific synthesis conditions to stabilize. Its existence within a diverse landscape of reported structures highlights the intricate bonding nature between these alkaline earth, alkali, and post-transition metal elements.
Key Properties
Cross-validated computational properties for Ba1Na2Sn1, 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 Ba1Na2Sn1, 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 | 0.0697 | -2.435 | 4.07 |
| Immm (No. 71) | orthorhombic | 0.20 | 1.3817 | -1.123 | 0.25 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ba1Na2Sn1, answered from cross-validated data.
What is Ba1Na2Sn1?
Ba1Na2Sn1 is a semiconducting ternary compound formed from barium, sodium, and tin that exists in a metastable state.
What is the band gap of Ba1Na2Sn1?
Is Ba1Na2Sn1 a metal, semiconductor, or insulator?
Is Ba1Na2Sn1 thermodynamically stable?
What is the crystal structure of Ba1Na2Sn1?
What is the density of Ba1Na2Sn1?
How many polymorphs of Ba1Na2Sn1 are known?
What elements does Ba1Na2Sn1 contain?
Where does the data for Ba1Na2Sn1 come from?
How It Compares
As a unique ternary phase, Ba1Na2Sn1 occupies a distinct niche in materials science where the interplay of barium, sodium, and tin creates a specific semiconducting profile not commonly found in simpler binary systems.
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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