Ba2Cu4Se8Sn2
Ba2Cu4Se8Sn2 is a stable, semiconducting quaternary chalcogenide material being evaluated for its utility in photovoltaic and optoelectronic applications.
About Ba2Cu4Se8Sn2
Ba2Cu4Se8Sn2 is a complex quaternary chalcogenide semiconductor that sits firmly on the convex hull, indicating exceptional thermodynamic stability. Its structural composition, incorporating barium alongside copper, selenium, and tin, positions it as a robust candidate for optoelectronic research. The material is primarily investigated for its potential role in light-harvesting technologies where stability and electronic performance are critical. By leveraging the unique coordination environments provided by the heavy barium cations, this compound offers a distinct structural framework compared to simpler binary or ternary chalcogenides. Its presence in multiple crystallographic databases highlights its significance as a well-defined phase in the broader landscape of chalcogenide photovoltaic absorbers.
Key Properties
Cross-validated computational properties for Ba2Cu4Se8Sn2, 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.
Reported Structures
Lowest-energy structures reported for Ba2Cu4Se8Sn2, 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. |
|---|---|---|---|---|---|
| Ama2 (No. 40) | orthorhombic | 0.45 | 0.0000 | -4.489 | 5.30 |
| — | — | — | — | — | 5.28 |
| Ama2 (No. 40) | — | — | — | — | — |
Applications
Where Ba2Cu4Se8Sn2 is used.
Frequently Asked Questions
Common questions about Ba2Cu4Se8Sn2, answered from cross-validated data.
What is Ba2Cu4Se8Sn2?
Ba2Cu4Se8Sn2 is a stable, semiconducting quaternary chalcogenide material being evaluated for its utility in photovoltaic and optoelectronic applications.
What is Ba2Cu4Se8Sn2 used for?
What is the band gap of Ba2Cu4Se8Sn2?
Is Ba2Cu4Se8Sn2 a metal, semiconductor, or insulator?
Is Ba2Cu4Se8Sn2 thermodynamically stable?
What is the crystal structure of Ba2Cu4Se8Sn2?
What is the density of Ba2Cu4Se8Sn2?
How many polymorphs of Ba2Cu4Se8Sn2 are known?
What elements does Ba2Cu4Se8Sn2 contain?
Where does the data for Ba2Cu4Se8Sn2 come from?
How It Compares
Within the chalcogenide photovoltaic absorbers class.
Within the class of chalcogenide photovoltaic absorbers, Ba2Cu4Se8Sn2 distinguishes itself from simpler siblings like Cu2SnSe3 through its more complex quaternary framework and the inclusion of barium. While many copper-tin-chalcogenides are widely studied for their thin-film solar cell potential, this compound offers a unique structural alternative that may provide different electronic tuning capabilities for advanced energy conversion applications.
Related Compounds
Other Chalcogenide Photovoltaic Absorbers in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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