Li5Mn4P4O16F
Li5Mn4P4O16F is a metastable, insulating phosphate material investigated for its potential role in advanced battery cathode technologies.
About Li5Mn4P4O16F
Li5Mn4P4O16F is a complex phosphate-based material belonging to the olivine-related cathode family. It is characterized by its wide-band-gap insulating nature, which is a common feature among phosphate frameworks designed for electrochemical applications.
As a metastable phase, this compound represents a unique structural variation within the phosphate class. Its specific atomic arrangement, incorporating fluorine into the lattice, makes it a subject of interest for researchers studying structural stability and ion mobility in battery materials.
Key Properties
Cross-validated computational properties for Li5Mn4P4O16F, 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 Li5Mn4P4O16F, 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. |
|---|---|---|---|---|---|
| I-4 (No. 82) | tetragonal | 3.71 | 0.0780 | -7.557 | 3.30 |
| I-4 (No. 82) | Tetragonal | — | — | — | 3.30 |
| I-4 (No. 82) | Tetragonal | — | — | — | 3.38 |
| I-4 (No. 82) | Tetragonal | — | — | — | 3.51 |
| I-4 (No. 82) | — | — | — | — | — |
Applications
Where Li5Mn4P4O16F is used.
Frequently Asked Questions
Common questions about Li5Mn4P4O16F, answered from cross-validated data.
What is Li5Mn4P4O16F?
Li5Mn4P4O16F is a metastable, insulating phosphate material investigated for its potential role in advanced battery cathode technologies.
What is Li5Mn4P4O16F used for?
What is the band gap of Li5Mn4P4O16F?
Is Li5Mn4P4O16F a metal, semiconductor, or insulator?
Is Li5Mn4P4O16F thermodynamically stable?
What is the crystal structure of Li5Mn4P4O16F?
What is the density of Li5Mn4P4O16F?
How many polymorphs of Li5Mn4P4O16F are known?
What elements does Li5Mn4P4O16F contain?
Where does the data for Li5Mn4P4O16F come from?
How It Compares
Within the olivine phosphate cathodes class.
Within the broader class of olivine phosphates, Li5Mn4P4O16F occupies a distinct structural niche compared to well-established members like LiFePO4 or LiMnPO4. While those simpler olivines are widely utilized for their robust electrochemical performance, this compound exhibits a more intricate stoichiometry, reflecting the diversity of potential manganese-based phosphate architectures.
Related Compounds
Other Olivine Phosphate Cathodes in the database.
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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