In3CuSe5
In3CuSe5 is a semiconducting copper-indium-selenide compound investigated for its potential use as a light-harvesting layer in photovoltaic devices.
About In3CuSe5
In3CuSe5 is a semiconducting chalcogenide that functions as a potential photovoltaic absorber. Its electronic structure and near-hull thermodynamic stability suggest it is a viable candidate for synthesis and further experimental investigation in thin-film technologies.
As part of the broader family of copper-based chalcogenides, this compound is studied for its ability to harvest light energy. It represents a specific stoichiometry within the indium-copper-selenium system that researchers explore to optimize charge carrier dynamics in optoelectronic devices.
Key Properties
Cross-validated computational properties for In3CuSe5, 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 In3CuSe5, 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 | 0.23 | 0.0017 | -17.310 | 5.41 |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 5.46 |
| P1 (No. 1) | Triclinic | — | — | — | 5.17 |
| P1 (No. 1) | Triclinic | — | — | — | 5.37 |
Applications
Where In3CuSe5 is used.
Frequently Asked Questions
Common questions about In3CuSe5, answered from cross-validated data.
What is In3CuSe5?
In3CuSe5 is a semiconducting copper-indium-selenide compound investigated for its potential use as a light-harvesting layer in photovoltaic devices.
What is In3CuSe5 used for?
What is the band gap of In3CuSe5?
Is In3CuSe5 a metal, semiconductor, or insulator?
Is In3CuSe5 thermodynamically stable?
What is the crystal structure of In3CuSe5?
What is the density of In3CuSe5?
How many polymorphs of In3CuSe5 are known?
What elements does In3CuSe5 contain?
Where does the data for In3CuSe5 come from?
How It Compares
Within the chalcogenide photovoltaic absorbers class.
Within the diverse class of chalcogenide photovoltaic absorbers, In3CuSe5 occupies a unique compositional space compared to more common ternary systems like Cu2SnSe3 or InCuS2. While many of its siblings rely on tin or gallium to tune their optoelectronic properties, this indium-rich compound offers an alternative structural framework for managing light absorption and carrier transport in next-generation solar cells.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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