BaSnS3
BaSnS3 is a semiconducting ternary sulfide that is theoretically stable and serves as a candidate material for electronic and energy-related research.
About BaSnS3
BaSnS3 is a ternary sulfide compound composed of barium, tin, and sulfur. As a semiconducting material, it exhibits electronic properties that are of significant interest for potential integration into thin-film technologies and specialized electronic components.
Given its near-hull thermodynamic stability, this compound is considered a viable target for experimental synthesis. Its structural versatility is highlighted by multiple reported configurations, positioning it as a material of interest for researchers exploring complex chalcogenide systems.
Key Properties
Cross-validated computational properties for BaSnS3, 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 BaSnS3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.86 | 0.0157 | -5.063 | 4.67 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.61 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.78 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.72 |
| No. 0 | unknown | — | — | — | 0.73 |
Applications
Where BaSnS3 is used.
Frequently Asked Questions
Common questions about BaSnS3, answered from cross-validated data.
What is BaSnS3?
BaSnS3 is a semiconducting ternary sulfide that is theoretically stable and serves as a candidate material for electronic and energy-related research.
What is BaSnS3 used for?
What is the band gap of BaSnS3?
Is BaSnS3 a metal, semiconductor, or insulator?
Is BaSnS3 thermodynamically stable?
What is the crystal structure of BaSnS3?
What is the density of BaSnS3?
How many polymorphs of BaSnS3 are known?
What elements does BaSnS3 contain?
Where does the data for BaSnS3 come from?
How It Compares
As a ternary sulfide, BaSnS3 represents a distinct structural arrangement within the broader family of barium-tin-sulfur compounds. It occupies a unique position where its predicted stability suggests it can be successfully realized in a laboratory setting, serving as a foundational material for exploring the electronic potential of tin-based chalcogenides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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