Cu2La6Se14Si2
Cu2La6Se14Si2 is a thermodynamically stable quaternary selenide semiconductor.
About Cu2La6Se14Si2
Cu2La6Se14Si2 is a complex quaternary selenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline material of interest for fundamental solid-state research.
The compound is characterized by its structural diversity, with multiple reported configurations across major materials databases. Its unique combination of copper, lanthanum, selenium, and silicon provides a distinct framework for exploring electronic and optical properties in chalcogenide systems.
Key Properties
Cross-validated computational properties for Cu2La6Se14Si2, 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 Cu2La6Se14Si2, 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. |
|---|---|---|---|---|---|
| P63 (No. 173) | hexagonal | 1.54 | 0.0000 | -5.804 | 5.68 |
| P63 (No. 173) | — | — | — | — | — |
| P63 (No. 173) | — | — | — | — | — |
| — | — | — | — | — | 5.68 |
Applications
Where Cu2La6Se14Si2 is used.
Frequently Asked Questions
Common questions about Cu2La6Se14Si2, answered from cross-validated data.
What is Cu2La6Se14Si2?
Cu2La6Se14Si2 is a thermodynamically stable quaternary selenide semiconductor.
What is Cu2La6Se14Si2 used for?
What is the band gap of Cu2La6Se14Si2?
Is Cu2La6Se14Si2 a metal, semiconductor, or insulator?
Is Cu2La6Se14Si2 thermodynamically stable?
What is the crystal structure of Cu2La6Se14Si2?
What is the density of Cu2La6Se14Si2?
How many polymorphs of Cu2La6Se14Si2 are known?
What elements does Cu2La6Se14Si2 contain?
Where does the data for Cu2La6Se14Si2 come from?
How It Compares
As a specialized quaternary chalcogenide, this compound serves as a distinct example of how multi-element integration can achieve thermodynamic stability in complex semiconducting systems, providing a benchmark for future investigations into similar lanthanide-based frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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