Ba3Sn2
Ba3Sn2 is a semiconducting intermetallic compound of barium and tin that is considered a promising candidate for laboratory synthesis.
About Ba3Sn2
Ba3Sn2 is a semiconducting intermetallic compound composed of barium and tin. Its position near the thermodynamic stability hull suggests that it is a viable candidate for experimental synthesis and structural characterization.
Given the multiple reported structures across various databases, this compound serves as an intriguing subject for investigating the electronic properties of alkaline-earth stannides. Its semiconducting nature makes it a point of interest for fundamental studies in solid-state chemistry and potential electronic applications.
Key Properties
Cross-validated computational properties for Ba3Sn2, 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 Ba3Sn2, 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. |
|---|---|---|---|---|---|
| P43212 (No. 96) | tetragonal | 0.37 | 0.0047 | -3.396 | 5.31 |
| P-3m1 (No. 164) | — | — | — | — | — |
| P43212 (No. 96) | Tetragonal | — | — | — | 5.26 |
| P43212 (No. 96) | Tetragonal | — | — | — | 5.36 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 4.50 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 4.51 |
| P43212 (No. 96) | Tetragonal | — | — | — | 5.37 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 5.02 |
Applications
Where Ba3Sn2 is used.
Frequently Asked Questions
Common questions about Ba3Sn2, answered from cross-validated data.
What is Ba3Sn2?
Ba3Sn2 is a semiconducting intermetallic compound of barium and tin that is considered a promising candidate for laboratory synthesis.
What is Ba3Sn2 used for?
What is the band gap of Ba3Sn2?
Is Ba3Sn2 a metal, semiconductor, or insulator?
Is Ba3Sn2 thermodynamically stable?
What is the crystal structure of Ba3Sn2?
What is the density of Ba3Sn2?
How many polymorphs of Ba3Sn2 are known?
What elements does Ba3Sn2 contain?
Where does the data for Ba3Sn2 come from?
How It Compares
As a distinct intermetallic phase, Ba3Sn2 represents a specific stoichiometry within the barium-tin system. While it lacks direct structural siblings in this context, it occupies a unique space in the phase diagram, balancing its electronic character with the structural complexity often found in heavy-element intermetallics.
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).
- mpaloe — Data from mpaloe.
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