K4Li4O4
K4Li4O4 is a semiconducting complex oxide composed of potassium, lithium, and oxygen that is considered thermodynamically stable enough to be a target for experimental synthesis.
About K4Li4O4
K4Li4O4 is a complex lithium oxide characterized by its semiconducting electronic nature. As a material near the thermodynamic hull, it represents a stable configuration that bridges the structural diversity found within the broader class of lithium-based oxides. Its unique arrangement of potassium, lithium, and oxygen ions suggests potential for specialized ionic transport applications. The compound is currently a subject of interest in computational materials science due to its structural complexity and the potential for experimental synthesis. Its role in the lithium oxide family is defined by its distinct stoichiometry, which deviates from the more common binary oxides, offering a different perspective on chemical bonding in alkali metal systems.
Key Properties
Cross-validated computational properties for K4Li4O4, 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 K4Li4O4, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 2.38 | 0.0123 | -4.298 | 2.36 |
| — | — | — | — | — | 1.96 |
| Cmce (No. 64) | — | — | — | — | — |
Applications
Where K4Li4O4 is used.
Frequently Asked Questions
Common questions about K4Li4O4, answered from cross-validated data.
What is K4Li4O4?
K4Li4O4 is a semiconducting complex oxide composed of potassium, lithium, and oxygen that is considered thermodynamically stable enough to be a target for experimental synthesis.
What is K4Li4O4 used for?
What is the band gap of K4Li4O4?
Is K4Li4O4 a metal, semiconductor, or insulator?
Is K4Li4O4 thermodynamically stable?
What is the crystal structure of K4Li4O4?
What is the density of K4Li4O4?
How many polymorphs of K4Li4O4 are known?
What elements does K4Li4O4 contain?
Where does the data for K4Li4O4 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely utilized cathode materials such as LiCoO2, LiNiO2, and LiMn2O4, which are heavily optimized for electrochemical energy storage, K4Li4O4 occupies a more niche structural space. While Li2O serves as a fundamental building block in lithium chemistry, K4Li4O4 incorporates potassium to achieve a complex, semiconducting framework that contrasts with the transition-metal-heavy structures of its siblings.
Related Compounds
Other Lithium Oxides in the database.
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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