KLi2Mn2O4
KLi2Mn2O4 is a metastable, semiconducting layered oxide containing potassium, lithium, manganese, and oxygen, primarily investigated for its potential in electrochemical energy storage.
About KLi2Mn2O4
KLi2Mn2O4 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic nature. As a metastable phase, it represents a complex structural arrangement of potassium, lithium, manganese, and oxygen atoms that offers unique pathways for ion mobility.
This material is of significant interest in materials science due to its potential utility in energy storage systems. Its structural framework provides a platform for investigating how alkali metal intercalation influences the electrochemical performance of manganese-based oxides.
Key Properties
Cross-validated computational properties for KLi2Mn2O4, 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 KLi2Mn2O4, 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/m (No. 11) | monoclinic | 1.12 | 0.0956 | -6.693 | 3.31 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.31 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.52 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.45 |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where KLi2Mn2O4 is used.
Frequently Asked Questions
Common questions about KLi2Mn2O4, answered from cross-validated data.
What is KLi2Mn2O4?
KLi2Mn2O4 is a metastable, semiconducting layered oxide containing potassium, lithium, manganese, and oxygen, primarily investigated for its potential in electrochemical energy storage.
What is KLi2Mn2O4 used for?
What is the band gap of KLi2Mn2O4?
Is KLi2Mn2O4 a metal, semiconductor, or insulator?
Is KLi2Mn2O4 thermodynamically stable?
What is the crystal structure of KLi2Mn2O4?
What is the density of KLi2Mn2O4?
How many polymorphs of KLi2Mn2O4 are known?
What elements does KLi2Mn2O4 contain?
Where does the data for KLi2Mn2O4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, KLi2Mn2O4 occupies a distinct niche compared to more conventional cathode materials like LiCoO2 or LiMn2O4. While many of its siblings are highly stable and widely commercialized, this compound is distinguished by its metastable nature and the inclusion of potassium, which alters its structural dynamics relative to standard lithium-only transition-metal frameworks like Li2MnO3 or LiNiO2.
Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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