Ba4Se8Sn2
Ba4Se8Sn2 is a stable, semiconducting ternary compound containing barium, selenium, and tin.
About Ba4Se8Sn2
Ba4Se8Sn2 is a complex ternary chalcogenide that exhibits semiconducting electronic characteristics. As a thermodynamically stable phase residing on the convex hull, it represents a well-defined structural arrangement of barium, selenium, and tin atoms.
This material is of interest to researchers investigating the electronic and structural diversity of multinary chalcogenides. Its stability suggests potential for integration into specialized electronic or optoelectronic device architectures where precise control over semiconducting properties is required.
Key Properties
Cross-validated computational properties for Ba4Se8Sn2, 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 Ba4Se8Sn2, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.26 | 0.0000 | -4.752 | 5.04 |
| No. 0 | unknown | — | — | — | 0.81 |
| No. 0 | unknown | — | — | — | 1.31 |
| — | — | — | — | — | 4.49 |
| — | — | — | — | — | 5.06 |
Applications
Where Ba4Se8Sn2 is used.
Frequently Asked Questions
Common questions about Ba4Se8Sn2, answered from cross-validated data.
What is Ba4Se8Sn2?
Ba4Se8Sn2 is a stable, semiconducting ternary compound containing barium, selenium, and tin.
What is Ba4Se8Sn2 used for?
What is the band gap of Ba4Se8Sn2?
Is Ba4Se8Sn2 a metal, semiconductor, or insulator?
Is Ba4Se8Sn2 thermodynamically stable?
What is the crystal structure of Ba4Se8Sn2?
What is the density of Ba4Se8Sn2?
How many polymorphs of Ba4Se8Sn2 are known?
What elements does Ba4Se8Sn2 contain?
Where does the data for Ba4Se8Sn2 come from?
How It Compares
As a distinct ternary compound, Ba4Se8Sn2 occupies a unique position within the broader landscape of barium-based chalcogenides. Unlike more common binary semiconductors, its complex stoichiometry allows for unique structural motifs that differentiate it from simpler metal-chalcogen systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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