Co5Li9Mn2O16
This complex oxide is a lithium-based transition metal material primarily investigated for its electrochemical properties. It is designed to function as a cathode material in advanced energy storage systems, where it facilitates the movement of ions during charge and discharge cycles.
Overview
Key Properties
Cross-validated computational properties for Co5Li9Mn2O16, 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.
0.01–1.66 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.
0.048 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.
806
4 databases, 8 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Co5Li9Mn2O16, 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. |
|---|---|---|---|---|---|
| P2 (No. 3) | monoclinic | 0.00 | 0.0484 | -6.558 | 4.70 |
| C2 (No. 5) | monoclinic | 1.51 | 0.0486 | -6.558 | 4.23 |
| P1 (No. 1) | triclinic | 1.64 | 0.0515 | -6.555 | 4.26 |
| P2/m (No. 10) | monoclinic | 1.38 | 0.0519 | -6.555 | 4.25 |
| C2/m (No. 12) | monoclinic | 1.39 | 0.0523 | -6.554 | 4.23 |
| P1 (No. 1) | triclinic | 1.27 | 0.0548 | -6.552 | 4.26 |
| P1 (No. 1) | triclinic | 1.55 | 0.0549 | -6.552 | 4.26 |
| P1 (No. 1) | triclinic | 1.48 | 0.0551 | -6.552 | 4.22 |
| P2/m (No. 10) | monoclinic | 1.22 | 0.0551 | -6.552 | 4.22 |
| P2 (No. 3) | monoclinic | 1.42 | 0.0553 | -6.551 | 4.24 |
| P1 (No. 1) | triclinic | 1.53 | 0.0563 | -6.550 | 4.25 |
| C2/m (No. 12) | monoclinic | 1.11 | 0.0566 | -6.550 | 4.24 |
Uses
Applications
Where Co5Li9Mn2O16 is used.
Lithium-ion battery researchCathode material developmentEnergy storage technology
Reference
Frequently Asked Questions
Common questions about Co5Li9Mn2O16, answered from cross-validated data.
What is Co5Li9Mn2O16?
This complex oxide is a lithium-based transition metal material primarily investigated for its electrochemical properties. It is designed to function as a cathode material in advanced energy storage systems, where it facilitates the movement of ions during charge and discharge cycles.
What is Co5Li9Mn2O16 used for?
Co5Li9Mn2O16 is used in lithium-ion battery research, cathode material development, and energy storage technology.
What is the band gap of Co5Li9Mn2O16?
Co5Li9Mn2O16 has a DFT-computed band gap of 0.01–1.66 eV across 806 reported structures.
Is Co5Li9Mn2O16 a metal, semiconductor, or insulator?
With a band gap up to 1.66 eV it is a semiconductor.
Is Co5Li9Mn2O16 thermodynamically stable?
Co5Li9Mn2O16 has a lowest energy above hull of 0.048 eV/atom (metastable).
What is the crystal structure of Co5Li9Mn2O16?
The lowest-energy reported polymorph of Co5Li9Mn2O16 is monoclinic symmetry, space group P2 (No. 3).
What is the density of Co5Li9Mn2O16?
The computed density of the ground-state structure of Co5Li9Mn2O16 is 4.70 g/cm³.
How many polymorphs of Co5Li9Mn2O16 are known?
806 structures of Co5Li9Mn2O16 are reported across 4 databases, spanning 8 distinct space groups.
What elements does Co5Li9Mn2O16 contain?
Co5Li9Mn2O16 contains Co, Li, Mn, and O (4 elements).
Where does the data for Co5Li9Mn2O16 come from?
Co5Li9Mn2O16 data is cross-referenced from materials_project.
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).
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