K2LiMn2O4
This compound is a complex oxide containing potassium, lithium, and manganese. It is primarily investigated as a potential electrode material for advanced energy storage systems due to its specific structural properties.
Overview
Key Properties
Cross-validated computational properties for K2LiMn2O4, aggregated across 4 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.
0.69–1.11 eV
Range across DFT structures
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.
0.092 eV/atom
Best (lowest) across sources
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.
Metastable
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
9
4 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for K2LiMn2O4, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.11 | 0.0918 | -6.500 | 3.12 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0928 | -6.499 | 3.11 |
| C2 (No. 5) | monoclinic | 0.69 | 0.0943 | -6.498 | 3.11 |
| Pm (No. 6) | monoclinic | 0.00 | 0.1243 | -6.468 | 3.17 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.11 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.31 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.26 |
| — | — | — | — | — | 3.16 |
| C2/c (No. 15) | — | — | — | — | — |
Uses
Applications
Where K2LiMn2O4 is used.
Lithium-ion battery researchElectrochemical energy storage development
Reference
Frequently Asked Questions
Common questions about K2LiMn2O4, answered from cross-validated data.
What is K2LiMn2O4?
This compound is a complex oxide containing potassium, lithium, and manganese. It is primarily investigated as a potential electrode material for advanced energy storage systems due to its specific structural properties.
More questions
What is K2LiMn2O4 used for?
K2LiMn2O4 is used in lithium-ion battery research and electrochemical energy storage development.
What is the band gap of K2LiMn2O4?
K2LiMn2O4 has a DFT-computed band gap of 0.69–1.11 eV across 9 reported structures.
Is K2LiMn2O4 a metal, semiconductor, or insulator?
With a band gap up to 1.11 eV it is a semiconductor.
Is K2LiMn2O4 thermodynamically stable?
K2LiMn2O4 has a lowest energy above hull of 0.092 eV/atom (metastable).
What is the crystal structure of K2LiMn2O4?
The lowest-energy reported polymorph of K2LiMn2O4 is triclinic symmetry, space group P-1 (No. 2).
What is the density of K2LiMn2O4?
The computed density of the ground-state structure of K2LiMn2O4 is 3.12 g/cm³.
How many polymorphs of K2LiMn2O4 are known?
9 structures of K2LiMn2O4 are reported across 4 databases, spanning 4 distinct space groups.
What elements does K2LiMn2O4 contain?
K2LiMn2O4 contains K, Li, Mn, and O (4 elements).
Where does the data for K2LiMn2O4 come from?
K2LiMn2O4 data is cross-referenced from materials_project, mpaloe, omat24, jarvis.
Explore
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.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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