Cu4K4O4
Cu4K4O4 is a thermodynamically stable, semiconducting ternary oxide of copper and potassium.
About Cu4K4O4
Cu4K4O4 is a distinct inorganic compound composed of copper, potassium, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions. Its electronic character is defined as semiconducting, suggesting potential utility in electronic or optoelectronic applications where specific charge transport properties are required. The material is characterized by a notable degree of structural diversity, with multiple reported configurations across various databases, indicating a complex landscape for its atomic arrangement. This richness in structural data makes it a subject of interest for researchers investigating the interplay between composition and electronic behavior in ternary oxide systems.
Key Properties
Cross-validated computational properties for Cu4K4O4, 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 Cu4K4O4, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 1.03 | 0.0000 | -4.611 | 3.36 |
| I-4m2 (No. 119) | tetragonal | 1.22 | 0.0010 | -4.610 | 3.22 |
| F-43m (No. 216) | cubic | 0.00 | 0.8588 | -3.752 | 3.89 |
| — | — | — | — | — | 2.85 |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| — | — | — | — | — | 3.05 |
| — | — | — | — | — | 2.74 |
Applications
Where Cu4K4O4 is used.
Frequently Asked Questions
Common questions about Cu4K4O4, answered from cross-validated data.
What is Cu4K4O4?
Cu4K4O4 is a thermodynamically stable, semiconducting ternary oxide of copper and potassium.
What is Cu4K4O4 used for?
What is the band gap of Cu4K4O4?
Is Cu4K4O4 a metal, semiconductor, or insulator?
Is Cu4K4O4 thermodynamically stable?
What is the crystal structure of Cu4K4O4?
What is the density of Cu4K4O4?
How many polymorphs of Cu4K4O4 are known?
What elements does Cu4K4O4 contain?
Where does the data for Cu4K4O4 come from?
How It Compares
As a unique ternary oxide, Cu4K4O4 serves as a foundational example of stable copper-potassium-oxygen frameworks. Without direct structural siblings in this specific class, it stands as an isolated point of interest for studying how alkali metals and transition metals coordinate within an oxygen-rich lattice to achieve thermodynamic stability.
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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