Sb2Se3
Antimony selenide · Stibnite-type antimony selenide
Antimony selenide is a stable semiconducting material widely researched for its potential in solar energy harvesting and thermoelectric applications.
About Antimony selenide
Antimony selenide is a thermodynamically stable semiconducting chalcogenide that has garnered significant attention due to its favorable optoelectronic properties. Its structural integrity and reliable performance make it a foundational material for research into energy conversion technologies.
As a member of the broader chalcogenide family, this compound is primarily utilized in thin-film solar cells and thermoelectric devices. Its ability to maintain stability while exhibiting semiconducting behavior allows it to serve as a versatile candidate for next-generation electronic components.
Key Properties
Cross-validated computational properties for Antimony selenide, 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 Sb2Se3. 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 Sb2Se3, 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 | 0.76 | 0.0000 | -19.154 | 5.51 |
| Pnma (No. 62) | orthorhombic | 0.49 | 0.0752 | -19.079 | 4.31 |
| Pnma (No. 62) | orthorhombic | 0.49 | 0.0951 | -19.059 | 4.34 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.31 |
| Pnma (No. 62) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.48 |
| No. 0 | unknown | — | — | — | 1.47 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.34 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.50 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.42 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.29 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.19 |
Applications
Where Antimony selenide is used.
Frequently Asked Questions
Common questions about Antimony selenide, answered from cross-validated data.
What is Sb2Se3?
Antimony selenide is a stable semiconducting material widely researched for its potential in solar energy harvesting and thermoelectric applications.
What is Sb2Se3 used for?
What is the band gap of Sb2Se3?
Is Sb2Se3 a metal, semiconductor, or insulator?
Is Sb2Se3 thermodynamically stable?
What is the crystal structure of Sb2Se3?
What is the density of Sb2Se3?
How many polymorphs of Sb2Se3 are known?
What elements does Sb2Se3 contain?
Where does the data for Sb2Se3 come from?
How It Compares
Within the bismuth chalcogenide thermoelectrics class.
Within the class of bismuth and antimony chalcogenides, Sb2Se3 occupies a distinct niche compared to well-known thermoelectric standards like Bi2Te3 or Bi2Se3. While many of its siblings are heavily optimized for high-temperature power generation, Sb2Se3 is particularly valued for its potential in cost-effective, earth-abundant photovoltaic applications, offering a different balance of stability and performance than complex alloys like Ge2Sb2Te5.
Related Compounds
Other Bismuth Chalcogenide Thermoelectrics in the database.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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