LiMn2F5
This inorganic compound is a lithium manganese fluoride material primarily studied for its electrochemical properties. It is investigated as a potential cathode material for advanced battery technologies due to its structural characteristics.
FLiMn
Overview
Key Properties
Cross-validated computational properties for LiMn2F5, 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.
1.93–3.59 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.
0.031 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
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
30
3 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LiMn2F5, 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/c (No. 15) | monoclinic | 2.81 | 0.0315 | -6.710 | 3.10 |
| Cmcm (No. 63) | orthorhombic | 3.19 | 0.0373 | -6.704 | 3.09 |
| Pnnm (No. 58) | orthorhombic | 3.36 | 0.0391 | -6.703 | 2.80 |
| P-1 (No. 2) | triclinic | 3.33 | 0.0441 | -6.698 | 3.22 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0461 | -6.696 | 3.43 |
| C2/c (No. 15) | monoclinic | 3.59 | 0.0497 | -6.692 | 3.96 |
| P21/c (No. 14) | monoclinic | 3.22 | 0.0565 | -6.685 | 3.43 |
| C2/c (No. 15) | monoclinic | 3.26 | 0.0603 | -6.681 | 3.27 |
| Pnma (No. 62) | orthorhombic | 3.50 | 0.0690 | -6.673 | 2.96 |
| Pna21 (No. 33) | orthorhombic | 3.37 | 0.0903 | -6.651 | 3.62 |
| P21/c (No. 14) | monoclinic | 3.24 | 0.0905 | -6.651 | 3.48 |
| P-1 (No. 2) | triclinic | 1.93 | 0.5227 | -6.219 | 3.22 |
Uses
Applications
Where LiMn2F5 is used.
Battery researchElectrochemical energy storage development
Reference
Frequently Asked Questions
Common questions about LiMn2F5, answered from cross-validated data.
What is LiMn2F5?
This inorganic compound is a lithium manganese fluoride material primarily studied for its electrochemical properties. It is investigated as a potential cathode material for advanced battery technologies due to its structural characteristics.
More questions
What is LiMn2F5 used for?
LiMn2F5 is used in battery research and electrochemical energy storage development.
What is the band gap of LiMn2F5?
LiMn2F5 has a DFT-computed band gap of 1.93–3.59 eV across 30 reported structures.
Is LiMn2F5 a metal, semiconductor, or insulator?
With a wide band gap up to 3.59 eV it is an insulator / wide-band-gap material.
Is LiMn2F5 thermodynamically stable?
LiMn2F5 has a lowest energy above hull of 0.031 eV/atom (metastable).
What is the crystal structure of LiMn2F5?
The lowest-energy reported polymorph of LiMn2F5 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of LiMn2F5?
The computed density of the ground-state structure of LiMn2F5 is 3.10 g/cm³.
How many polymorphs of LiMn2F5 are known?
30 structures of LiMn2F5 are reported across 3 databases, spanning 7 distinct space groups.
What elements does LiMn2F5 contain?
LiMn2F5 contains F, Li, and Mn (3 elements).
Where does the data for LiMn2F5 come from?
LiMn2F5 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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