Cu2SnSe3
Cu2SnSe3 is a copper-tin-selenide semiconductor used in the development of thin-film solar energy conversion devices.
About Cu2SnSe3
Cu2SnSe3 is a ternary chalcogenide semiconductor that functions as a promising absorber material for thin-film photovoltaic technologies. Its electronic structure is characterized by a very narrow band gap, positioning it as a semimetallic candidate within the broader family of copper-based chalcogenides.
The material exhibits favorable thermodynamic stability, placing it near the convex hull of its phase diagram, which suggests it is a viable target for experimental synthesis. Its structural versatility is evidenced by numerous reported configurations, making it a subject of significant interest for researchers optimizing light-harvesting efficiency.
Key Properties
Cross-validated computational properties for Cu2SnSe3, 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 Cu2SnSe3. 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 Cu2SnSe3, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 0.09 | 0.0128 | -15.238 | 5.54 |
| Cc (No. 9) | monoclinic | 0.00 | 0.0130 | -15.237 | 5.57 |
| Imm2 (No. 44) | orthorhombic | 0.00 | 0.0138 | -15.237 | 5.52 |
| Cc (No. 9) | monoclinic | 0.00 | 0.0140 | -15.236 | 5.59 |
| — | — | 0.00 | 0.0144 | -0.307 | — |
| — | — | 0.00 | 0.0152 | -0.306 | — |
| Fdd2 (No. 43) | orthorhombic | 0.02 | 0.0153 | -15.235 | 5.61 |
| — | — | 0.00 | 0.0163 | -0.305 | — |
| — | — | 0.00 | 0.0169 | -0.304 | — |
| Imm2 (No. 44) | orthorhombic | 0.00 | 0.0175 | -0.291 | — |
| Cc (No. 9) | monoclinic | 0.00 | 0.0183 | -0.290 | — |
| Cc (No. 9) | monoclinic | 0.00 | 0.0323 | -0.276 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Cu2SnSe3.
Applications
Where Cu2SnSe3 is used.
Frequently Asked Questions
Common questions about Cu2SnSe3, answered from cross-validated data.
What is Cu2SnSe3?
Cu2SnSe3 is a copper-tin-selenide semiconductor used in the development of thin-film solar energy conversion devices.
What is Cu2SnSe3 used for?
What is the band gap of Cu2SnSe3?
Is Cu2SnSe3 a metal, semiconductor, or insulator?
Is Cu2SnSe3 thermodynamically stable?
What is the crystal structure of Cu2SnSe3?
What is the density of Cu2SnSe3?
How many polymorphs of Cu2SnSe3 are known?
How is Cu2SnSe3 synthesized?
What elements does Cu2SnSe3 contain?
Where does the data for Cu2SnSe3 come from?
How It Compares
Within the chalcogenide photovoltaic absorbers class.
Within the class of chalcogenide photovoltaic absorbers, Cu2SnSe3 serves as a selenium-based counterpart to the sulfur-rich Cu2SnS3. While many of its siblings like CuInLa2Se5 or Cu2Ga2Se4 rely on different elemental combinations to tune their electronic properties, Cu2SnSe3 is particularly notable for its narrow-gap behavior, offering a distinct alternative for spectral response modulation compared to the wider-gap members of the group.
Related Compounds
Other Chalcogenide Photovoltaic Absorbers in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- 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 Cu2SnSe3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →