Li2FePHO5
Li2FePHO5 is a metastable, insulating phosphate material researched for its potential applications in lithium-ion battery cathode technology.
About Li2FePHO5
Li2FePHO5 belongs to the olivine phosphate class of materials, characterized by its insulating electronic nature. As a metastable compound, it represents a unique structural variation within the broader family of lithium iron-based phosphates, offering researchers a distinct platform for studying ion mobility and electrochemical behavior.
This material is primarily investigated for its potential utility in high-performance battery cathodes. By leveraging the structural stability inherent to its phosphate-based framework, it serves as a subject of interest for developing next-generation energy storage technologies that require robust, lightweight, and efficient electrode materials.
Key Properties
Cross-validated computational properties for Li2FePHO5, 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 Li2FePHO5, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 3.79 | 0.0468 | -6.846 | 3.03 |
| P21/c (No. 14) | monoclinic | 3.52 | 0.0566 | -6.837 | 2.80 |
| P-1 (No. 2) | triclinic | 3.98 | 0.0599 | -6.833 | 2.98 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.98 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.16 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.05 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.27 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 3.03 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.15 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where Li2FePHO5 is used.
Frequently Asked Questions
Common questions about Li2FePHO5, answered from cross-validated data.
What is Li2FePHO5?
Li2FePHO5 is a metastable, insulating phosphate material researched for its potential applications in lithium-ion battery cathode technology.
What is Li2FePHO5 used for?
What is the band gap of Li2FePHO5?
Is Li2FePHO5 a metal, semiconductor, or insulator?
Is Li2FePHO5 thermodynamically stable?
What is the crystal structure of Li2FePHO5?
What is the density of Li2FePHO5?
How many polymorphs of Li2FePHO5 are known?
What elements does Li2FePHO5 contain?
Where does the data for Li2FePHO5 come from?
How It Compares
Within the olivine phosphate cathodes class.
Within the diverse family of olivine phosphate cathodes, Li2FePHO5 occupies a niche position compared to the well-established LiFePO4. While LiFePO4 is widely recognized for its excellent stability and commercial viability, Li2FePHO5 presents a more complex, metastable structural arrangement that distinguishes it from simpler siblings like LiMnPO4 or the pyrophosphate-based LiFeP2O7.
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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