Cu4K12Nb8Se48
Cu4K12Nb8Se48 is a thermodynamically stable, semiconducting quaternary selenide composed of copper, potassium, niobium, and selenium.
About Cu4K12Nb8Se48
Cu4K12Nb8Se48 is a complex quaternary selenide that exhibits semiconducting electronic behavior. Its position on the convex hull indicates that it is a thermodynamically stable compound, making it a significant subject for structural analysis and solid-state chemistry investigations. The intricate arrangement of copper, potassium, niobium, and selenium atoms suggests a highly ordered lattice architecture. This material is primarily utilized in fundamental materials science research to better understand the electronic and structural properties of complex chalcogenides. Its stability and distinct composition provide a unique platform for exploring potential applications in specialized electronic or optoelectronic devices where specific semiconducting characteristics are required.
Key Properties
Cross-validated computational properties for Cu4K12Nb8Se48, 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 Cu4K12Nb8Se48, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.27 | 0.0000 | -4.887 | 4.15 |
| No. 0 | unknown | — | — | — | 1.12 |
| — | — | — | — | — | 4.15 |
Applications
Where Cu4K12Nb8Se48 is used.
Frequently Asked Questions
Common questions about Cu4K12Nb8Se48, answered from cross-validated data.
What is Cu4K12Nb8Se48?
Cu4K12Nb8Se48 is a thermodynamically stable, semiconducting quaternary selenide composed of copper, potassium, niobium, and selenium.
What is Cu4K12Nb8Se48 used for?
What is the band gap of Cu4K12Nb8Se48?
Is Cu4K12Nb8Se48 a metal, semiconductor, or insulator?
Is Cu4K12Nb8Se48 thermodynamically stable?
What is the crystal structure of Cu4K12Nb8Se48?
What is the density of Cu4K12Nb8Se48?
How many polymorphs of Cu4K12Nb8Se48 are known?
What elements does Cu4K12Nb8Se48 contain?
Where does the data for Cu4K12Nb8Se48 come from?
How It Compares
As a unique quaternary selenide, this compound serves as a distinct entry in the landscape of complex chalcogenides, representing a stable configuration within its specific chemical system.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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