FLi2MnO2
FLi2MnO2 has a DFT band gap of 0.63–2.40 eV across 28 reported structures in 10 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for FLi2MnO2, 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.
0.63–2.40 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.
0.007 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.
28
3 databases, 10 space groups
Reference
Frequently Asked Questions
Common questions about FLi2MnO2, answered from cross-validated data.
What is the band gap of FLi2MnO2?
FLi2MnO2 has a DFT-computed band gap of 0.63–2.40 eV across 28 reported structures.
More questions
Is FLi2MnO2 a metal, semiconductor, or insulator?
With a band gap up to 2.40 eV it is a semiconductor.
Is FLi2MnO2 thermodynamically stable?
FLi2MnO2 has a lowest energy above hull of 0.007 eV/atom (near hull (likely stable)).
How many polymorphs of FLi2MnO2 are known?
28 structures of FLi2MnO2 are reported across 3 databases, spanning 10 distinct space groups.
What elements does FLi2MnO2 contain?
FLi2MnO2 contains F, Li, Mn, and O (4 elements).
Where does the data for FLi2MnO2 come from?
FLi2MnO2 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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