CuInLa2Se5
CuInLa2Se5 is a semiconducting quaternary chalcogenide compound investigated for its utility as a light-absorbing material in photovoltaic technologies.
About CuInLa2Se5
CuInLa2Se5 is a complex quaternary chalcogenide semiconductor that has gained interest for its potential role in advanced optoelectronic applications. Its electronic structure and thermodynamic stability suggest it is a viable candidate for synthesis and further experimental investigation in the search for high-efficiency light-harvesting materials.
As a member of the chalcogenide photovoltaic absorber class, this compound leverages the unique properties of copper, indium, lanthanum, and selenium to manage charge carrier dynamics. Its near-hull stability indicates that it is a promising target for materials scientists seeking to expand the library of functional semiconductors for next-generation solar energy conversion.
Key Properties
Cross-validated computational properties for CuInLa2Se5, 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 CuInLa2Se5. 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 CuInLa2Se5, 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 | 0.56 | 0.0060 | -5.377 | 6.33 |
| No. 0 | unknown | — | — | — | 1.62 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where CuInLa2Se5 is used.
Frequently Asked Questions
Common questions about CuInLa2Se5, answered from cross-validated data.
What is CuInLa2Se5?
CuInLa2Se5 is a semiconducting quaternary chalcogenide compound investigated for its utility as a light-absorbing material in photovoltaic technologies.
What is CuInLa2Se5 used for?
What is the band gap of CuInLa2Se5?
Is CuInLa2Se5 a metal, semiconductor, or insulator?
Is CuInLa2Se5 thermodynamically stable?
What is the crystal structure of CuInLa2Se5?
What is the density of CuInLa2Se5?
How many polymorphs of CuInLa2Se5 are known?
What elements does CuInLa2Se5 contain?
Where does the data for CuInLa2Se5 come from?
How It Compares
Within the chalcogenide photovoltaic absorbers class.
Within the diverse family of chalcogenide absorbers, CuInLa2Se5 occupies a distinct niche compared to more traditional copper-tin-based systems like Cu2SnSe3 or Cu2SnS3. While many of its siblings focus on earth-abundant tin or gallium chemistries, the inclusion of lanthanum in this structure introduces unique electronic characteristics that differentiate it from the standard Cu-In-S or Cu-Ga-Se frameworks, potentially offering different pathways for tuning optical absorption profiles.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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