CoLi3Mn2O6
CoLi3Mn2O6 has a DFT band gap of 0.11–0.96 eV across 22 reported structures in 5 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for CoLi3Mn2O6, 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.
0.11–0.96 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.
0.021 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
22
3 databases, 5 space groups
Reference
Frequently Asked Questions
Common questions about CoLi3Mn2O6, answered from cross-validated data.
What is the band gap of CoLi3Mn2O6?
CoLi3Mn2O6 has a DFT-computed band gap of 0.11–0.96 eV across 22 reported structures.
More questions
Is CoLi3Mn2O6 a metal, semiconductor, or insulator?
With a band gap up to 0.96 eV it is a semiconductor.
Is CoLi3Mn2O6 thermodynamically stable?
CoLi3Mn2O6 has a lowest energy above hull of 0.021 eV/atom (near hull (likely stable)).
How many polymorphs of CoLi3Mn2O6 are known?
22 structures of CoLi3Mn2O6 are reported across 3 databases, spanning 5 distinct space groups.
What elements does CoLi3Mn2O6 contain?
CoLi3Mn2O6 contains Co, Li, Mn, and O (4 elements).
Where does the data for CoLi3Mn2O6 come from?
CoLi3Mn2O6 data is cross-referenced from latticegraph.
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Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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