Sn2S3
Tin(III) sulfide is a binary inorganic semiconductor material composed of tin and sulfur. It is primarily studied for its potential utility in optoelectronic devices and thin-film solar cell technologies due to its favorable light-absorbing properties.
SSn
Overview
Key Properties
Cross-validated computational properties for Sn2S3, aggregated across 4 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.
0.78 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
18
4 databases, 10 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Sn2S3, 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 | 0.78 | 0.0000 | -15.193 | 4.46 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.83 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.63 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.02 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.53 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.36 |
| P-4m2 (No. 115) | Tetragonal | — | — | — | 4.11 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.45 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 6.29 |
| Pnma (No. 62) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.19 |
| P1 (No. 1) | Triclinic | — | — | — | 6.12 |
Uses
Applications
Where Sn2S3 is used.
Photovoltaic devicesOptoelectronic sensorsThin-film semiconductor research
Reference
Frequently Asked Questions
Common questions about Sn2S3, answered from cross-validated data.
What is Sn2S3?
Tin(III) sulfide is a binary inorganic semiconductor material composed of tin and sulfur. It is primarily studied for its potential utility in optoelectronic devices and thin-film solar cell technologies due to its favorable light-absorbing properties.
More questions
What is Sn2S3 used for?
Sn2S3 is used in photovoltaic devices, optoelectronic sensors, and thin-film semiconductor research.
What is the band gap of Sn2S3?
Sn2S3 has a DFT-computed band gap of 0.78 eV across 18 reported structures.
Is Sn2S3 a metal, semiconductor, or insulator?
With a band gap up to 0.78 eV it is a semiconductor.
Is Sn2S3 thermodynamically stable?
Yes — Sn2S3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Sn2S3?
The lowest-energy reported polymorph of Sn2S3 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Sn2S3?
The computed density of the ground-state structure of Sn2S3 is 4.46 g/cm³.
How many polymorphs of Sn2S3 are known?
18 structures of Sn2S3 are reported across 4 databases, spanning 10 distinct space groups.
What elements does Sn2S3 contain?
Sn2S3 contains S and Sn (2 elements).
Where does the data for Sn2S3 come from?
Sn2S3 data is cross-referenced from materials_project, mpaloe, jarvis, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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