SbSI
antimony sulfoiodide · antimony(III) sulfoiodide
SbSI is a stable, semiconducting inorganic compound widely studied for its ferroelectric and optoelectronic properties.
About antimony sulfoiodide
Antimony sulfoiodide is a distinct semiconducting compound that occupies a stable position on the thermodynamic convex hull. Its structural versatility is highlighted by a significant number of reported crystal configurations across major materials databases, making it a subject of interest for researchers studying phase transitions and solid-state physics.
Due to its electronic character, this material is frequently investigated for its role in specialized electronic and optical applications. Its ability to maintain stability while exhibiting complex physical behaviors allows it to serve as a foundational material for exploring advanced functional properties in inorganic chemistry.
Key Properties
Cross-validated computational properties for antimony sulfoiodide, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of SbSI. 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 SbSI, 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. |
|---|---|---|---|---|---|
| — | — | 1.66 | 0.0000 | -0.470 | — |
| Pnma (No. 62) | orthorhombic | 1.63 | 0.0000 | -3.869 | 4.89 |
| Pnma (No. 62) | orthorhombic | 1.56 | 0.0000 | -0.377 | — |
| Pnma (No. 62) | orthorhombic | 1.56 | 0.0000 | -0.377 | — |
| Pnma (No. 62) | orthorhombic | 1.56 | 0.0000 | -0.377 | — |
| — | — | 1.65 | 0.0007 | -0.470 | — |
| — | — | 1.51 | 0.0013 | -0.469 | — |
| — | — | 1.57 | 0.0014 | -0.469 | — |
| Pna21 (No. 33) | orthorhombic | 1.66 | 0.0025 | -3.867 | 4.60 |
| — | — | 1.47 | 0.0043 | -0.466 | — |
| Pnma (No. 62) | orthorhombic | 1.61 | 0.0053 | -0.372 | — |
| Pnma (No. 62) | orthorhombic | 1.48 | 0.0200 | -3.849 | 4.49 |
Applications
Where antimony sulfoiodide is used.
Patent Landscape
2 patents reference SbSI or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 6264750 | Method and system for forming SbSI thin films | — | — |
| 6153262 | Method for forming SbSI thin films | — | — |
Frequently Asked Questions
Common questions about antimony sulfoiodide, answered from cross-validated data.
What is SbSI?
SbSI is a stable, semiconducting inorganic compound widely studied for its ferroelectric and optoelectronic properties.
What is SbSI used for?
What is the band gap of SbSI?
Is SbSI a metal, semiconductor, or insulator?
Is SbSI thermodynamically stable?
What is the crystal structure of SbSI?
What is the density of SbSI?
How many polymorphs of SbSI are known?
What elements does SbSI contain?
Where does the data for SbSI come from?
How It Compares
As a singular entry in this context, SbSI represents a specialized class of chalcogenide-halides that bridges the gap between traditional semiconductors and ferroelectric materials. Its thermodynamic stability distinguishes it as a robust candidate for experimental synthesis compared to more volatile or metastable compounds in the broader landscape of antimony-based materials.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
Analyze SbSI in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →