Sb2S3
stibnite · antimony trisulfide
Stibnite is a stable, semiconducting antimony sulfide widely studied for its diverse structural forms and potential in electronic devices.
About stibnite
Sb2S3 is a thermodynamically stable compound that exists on the convex hull, indicating significant structural robustness. As a semiconducting material, it has garnered extensive interest for its optoelectronic potential and its ability to be synthesized in a wide variety of structural arrangements.
With dozens of reported structures documented across major materials databases, this compound is a highly studied subject in solid-state chemistry. Its versatility in phase and form makes it a foundational material for exploring the intersection of chalcogenide physics and practical semiconductor applications.
Key Properties
Cross-validated computational properties for stibnite, 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.
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 Sb2S3, 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 | 1.29 | 0.0000 | -15.390 | 4.38 |
| Pmn21 (No. 31) | orthorhombic | 1.28 | 0.0006 | -15.390 | 4.25 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.28 |
| No. 0 | unknown | — | — | — | 1.35 |
| No. 0 | unknown | — | — | — | 1.16 |
| No. 0 | unknown | — | — | — | 1.16 |
| No. 0 | unknown | — | — | — | 1.16 |
| P1 (No. 1) | Triclinic | — | — | — | 7.02 |
| No. 0 | unknown | — | — | — | 1.16 |
| No. 0 | unknown | — | — | — | 1.23 |
| No. 0 | unknown | — | — | — | 1.26 |
| No. 0 | unknown | — | — | — | 1.36 |
Applications
Where stibnite is used.
Frequently Asked Questions
Common questions about stibnite, answered from cross-validated data.
What is Sb2S3?
Stibnite is a stable, semiconducting antimony sulfide widely studied for its diverse structural forms and potential in electronic devices.
What is Sb2S3 used for?
What is the band gap of Sb2S3?
Is Sb2S3 a metal, semiconductor, or insulator?
Is Sb2S3 thermodynamically stable?
What is the crystal structure of Sb2S3?
What is the density of Sb2S3?
How many polymorphs of Sb2S3 are known?
What elements does Sb2S3 contain?
Where does the data for Sb2S3 come from?
How It Compares
As a prominent binary chalcogenide, Sb2S3 serves as a benchmark for semiconducting behavior in its class, often setting the standard for stability and structural diversity among similar antimony-based compounds.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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