ZnCu2SnSeS3
ZnCu2SnSeS3 is a quaternary chalcogenide semiconductor being investigated for its potential as a light-absorbing layer in thin-film solar cell technologies.
About ZnCu2SnSeS3
ZnCu2SnSeS3 is a complex quaternary chalcogenide semiconductor that functions as a potential absorber material for thin-film solar energy conversion. Its composition, incorporating copper, zinc, tin, sulfur, and selenium, positions it within a class of materials designed to optimize light absorption through tunable electronic properties.
As a material residing near the convex hull, it is considered a viable candidate for experimental synthesis. Its near-zero-gap electronic character suggests unique charge carrier behavior, making it an intriguing subject for researchers aiming to refine the efficiency and stability of next-generation photovoltaic devices.
Key Properties
Cross-validated computational properties for ZnCu2SnSeS3, aggregated across 2 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 ZnCu2SnSeS3. 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 ZnCu2SnSeS3, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.03 | 0.0092 | -0.496 | — |
| P1 (No. 1) | triclinic | 0.03 | 0.0686 | -4.296 | 4.78 |
| P1 (No. 1) | triclinic | — | — | — | 4.78 |
| P1 (No. 1) | triclinic | — | — | — | 4.96 |
| P1 (No. 1) | triclinic | — | — | — | 4.92 |
Applications
Where ZnCu2SnSeS3 is used.
Frequently Asked Questions
Common questions about ZnCu2SnSeS3, answered from cross-validated data.
What is ZnCu2SnSeS3?
ZnCu2SnSeS3 is a quaternary chalcogenide semiconductor being investigated for its potential as a light-absorbing layer in thin-film solar cell technologies.
What is ZnCu2SnSeS3 used for?
What is the band gap of ZnCu2SnSeS3?
Is ZnCu2SnSeS3 a metal, semiconductor, or insulator?
Is ZnCu2SnSeS3 thermodynamically stable?
What is the crystal structure of ZnCu2SnSeS3?
How many polymorphs of ZnCu2SnSeS3 are known?
What elements does ZnCu2SnSeS3 contain?
Where does the data for ZnCu2SnSeS3 come from?
How It Compares
Within the chalcogenide photovoltaic absorbers class.
Within the diverse family of chalcogenide photovoltaic absorbers, ZnCu2SnSeS3 occupies a distinct niche compared to binary or ternary counterparts like Cu2SnS3 or Cu2SnSe3. While many of its siblings are optimized for specific band gap ranges, this compound's near-zero-gap nature differentiates it from the wider-gap members of the class, offering a different approach to carrier management in thin-film architectures.
Related Compounds
Other Chalcogenide Photovoltaic Absorbers in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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