Li2MnO2F
This material is a lithium-based oxyfluoride compound primarily investigated for its potential as a cathode material in advanced battery technologies. It is designed to improve energy storage capabilities and structural stability during the charge and discharge cycles of electrochemical cells.
Key Properties
Cross-validated computational properties for Li2MnO2F, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Li2MnO2F, 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 | 1.40 | 0.0070 | -6.619 | 3.57 |
| P-1 (No. 2) | triclinic | 1.71 | 0.0070 | -6.619 | 3.55 |
| C2 (No. 5) | monoclinic | 1.09 | 0.0248 | -6.602 | 3.57 |
| C2/c (No. 15) | monoclinic | 2.40 | 0.0276 | -6.599 | 3.52 |
| C2/c (No. 15) | monoclinic | 2.21 | 0.0334 | -6.593 | 3.49 |
| Pnma (No. 62) | orthorhombic | 2.37 | 0.0363 | -6.590 | 3.49 |
| Immm (No. 71) | orthorhombic | 2.12 | 0.0365 | -6.590 | 3.49 |
| C2/c (No. 15) | monoclinic | 2.23 | 0.0424 | -6.584 | 3.21 |
| Pnma (No. 62) | orthorhombic | 2.22 | 0.0428 | -6.584 | 3.38 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0482 | -6.578 | 3.68 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0713 | -6.555 | 3.57 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0745 | -6.552 | 3.42 |
Applications
Where Li2MnO2F is used.
Frequently Asked Questions
Common questions about Li2MnO2F, answered from cross-validated data.
What is Li2MnO2F?
This material is a lithium-based oxyfluoride compound primarily investigated for its potential as a cathode material in advanced battery technologies. It is designed to improve energy storage capabilities and structural stability during the charge and discharge cycles of electrochemical cells.
What is Li2MnO2F used for?
What is the band gap of Li2MnO2F?
Is Li2MnO2F a metal, semiconductor, or insulator?
Is Li2MnO2F thermodynamically stable?
What is the crystal structure of Li2MnO2F?
What is the density of Li2MnO2F?
How many polymorphs of Li2MnO2F are known?
What elements does Li2MnO2F contain?
Where does the data for Li2MnO2F come from?
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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