KLiMnO2
This compound is a complex oxide containing potassium, lithium, and manganese. It is primarily studied as a cathode material for advanced battery technologies due to its layered structure and ionic conductivity.
Overview
Key Properties
Cross-validated computational properties for KLiMnO2, 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.
2.13 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
9
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for KLiMnO2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.00 | 0.0000 | -6.270 | 3.11 |
| Cccm (No. 66) | orthorhombic | 2.13 | 0.0270 | -6.243 | 3.09 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.26 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.11 |
| Cccm (No. 66) | Orthorhombic | — | — | — | 3.24 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.26 |
| Cccm (No. 66) | Orthorhombic | — | — | — | 3.09 |
| Cccm (No. 66) | Orthorhombic | — | — | — | 3.22 |
Uses
Applications
Where KLiMnO2 is used.
Lithium-ion battery researchElectrochemical energy storage development
Reference
Frequently Asked Questions
Common questions about KLiMnO2, answered from cross-validated data.
What is KLiMnO2?
This compound is a complex oxide containing potassium, lithium, and manganese. It is primarily studied as a cathode material for advanced battery technologies due to its layered structure and ionic conductivity.
More questions
What is KLiMnO2 used for?
KLiMnO2 is used in lithium-ion battery research and electrochemical energy storage development.
What is the band gap of KLiMnO2?
KLiMnO2 has a DFT-computed band gap of 2.13 eV across 9 reported structures.
Is KLiMnO2 a metal, semiconductor, or insulator?
With a band gap up to 2.13 eV it is a semiconductor.
Is KLiMnO2 thermodynamically stable?
Yes — KLiMnO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of KLiMnO2?
The lowest-energy reported polymorph of KLiMnO2 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of KLiMnO2?
The computed density of the ground-state structure of KLiMnO2 is 3.11 g/cm³.
How many polymorphs of KLiMnO2 are known?
9 structures of KLiMnO2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does KLiMnO2 contain?
KLiMnO2 contains K, Li, Mn, and O (4 elements).
Where does the data for KLiMnO2 come from?
KLiMnO2 data is cross-referenced from materials_project, jarvis, mpaloe.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
Analyze KLiMnO2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →