In2S3
indium(III) sulfide · indium sesquisulfide
Indium(III) sulfide is a stable semiconducting compound widely utilized in the development of high-efficiency thin-film solar cells and optoelectronic components.
About indium(III) sulfide
Indium(III) sulfide is a thermodynamically stable compound that functions as a semiconductor. Its structural versatility is evidenced by the extensive number of reported phases across various databases, making it a highly scrutinized material in solid-state chemistry.
This material is primarily valued for its role in energy conversion technologies. Its electronic character allows it to serve as a critical component in thin-film solar cells, where it is often utilized as a buffer layer to improve device performance and stability.
Key Properties
Cross-validated computational properties for indium(III) sulfide, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of In2S3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for In2S3, 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. |
|---|---|---|---|---|---|
| — | — | 0.92 | 0.0000 | -0.730 | — |
| I41/amd (No. 141) | tetragonal | 0.83 | 0.0000 | -14.595 | 4.50 |
| R-3c (No. 167) | trigonal | 0.26 | 0.0000 | -0.602 | — |
| — | — | 1.74 | 0.0033 | -0.727 | — |
| Imm2 (No. 44) | orthorhombic | 0.69 | 0.0175 | -0.585 | — |
| R-3c (No. 167) | trigonal | 0.28 | 0.0219 | -14.574 | 4.85 |
| — | — | 1.09 | 0.0222 | -0.708 | — |
| Cc (No. 9) | monoclinic | 1.00 | 0.0231 | -0.579 | — |
| — | — | 0.44 | 0.0295 | -0.701 | — |
| — | — | 0.49 | 0.0320 | -0.698 | — |
| — | — | 0.83 | 0.0390 | -0.691 | — |
| — | — | 1.07 | 0.0400 | -0.690 | — |
Applications
Where indium(III) sulfide is used.
Patent Landscape
1 patent reference In2S3 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 8053029 | Method for fabricating CuInS2 thin film by metal organic chemical vapor deposition, CuInS2 thin film fabricate | — | — |
Frequently Asked Questions
Common questions about indium(III) sulfide, answered from cross-validated data.
What is In2S3?
Indium(III) sulfide is a stable semiconducting compound widely utilized in the development of high-efficiency thin-film solar cells and optoelectronic components.
What is In2S3 used for?
What is the band gap of In2S3?
Is In2S3 a metal, semiconductor, or insulator?
Is In2S3 thermodynamically stable?
What is the crystal structure of In2S3?
How many polymorphs of In2S3 are known?
What elements does In2S3 contain?
Where does the data for In2S3 come from?
How It Compares
As a prominent binary chalcogenide, indium(III) sulfide stands out for its robust thermodynamic stability and well-characterized structural landscape, positioning it as a foundational material for research into indium-based semiconductor systems.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze In2S3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →