Li2FePCO7
Li2FePCO7 is a semiconducting phosphate-based material designed for potential use as a cathode in lithium-ion battery technology.
About Li2FePCO7
Li2FePCO7 is a complex phosphate-based material belonging to the olivine cathode family. Its semiconducting electronic character and near-hull thermodynamic stability suggest it is a viable candidate for synthesis and further exploration in advanced electrochemical energy storage systems.
As a member of the phosphate cathode class, this compound leverages the structural stability inherent to its polyanionic framework. Its ability to accommodate lithium ions within its lattice makes it an interesting subject for researchers investigating next-generation battery electrode materials.
Key Properties
Cross-validated computational properties for Li2FePCO7, 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 Li2FePCO7, 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 | 2.34 | 0.0083 | -7.426 | 2.76 |
| P-1 (No. 2) | triclinic | 2.44 | 0.0120 | -7.422 | 2.72 |
| P-1 (No. 2) | triclinic | 2.27 | 0.0131 | -7.421 | 2.74 |
| P1 (No. 1) | triclinic | 2.11 | 0.0135 | -7.421 | 2.73 |
| P21 (No. 4) | monoclinic | 2.49 | 0.0138 | -7.420 | 2.72 |
| P-1 (No. 2) | triclinic | 2.34 | 0.0141 | -7.420 | 2.76 |
| P1 (No. 1) | triclinic | 2.16 | 0.0142 | -7.420 | 2.75 |
| P21/c (No. 14) | monoclinic | 1.79 | 0.0171 | -7.417 | 2.72 |
| P1 (No. 1) | triclinic | 2.44 | 0.0184 | -7.416 | 2.72 |
| P21/m (No. 11) | monoclinic | 2.47 | 0.0188 | -7.415 | 2.68 |
| P1 (No. 1) | triclinic | 1.79 | 0.0199 | -7.414 | 2.73 |
| P1 (No. 1) | triclinic | 2.46 | 0.0205 | -7.414 | 2.72 |
Applications
Where Li2FePCO7 is used.
Frequently Asked Questions
Common questions about Li2FePCO7, answered from cross-validated data.
What is Li2FePCO7?
Li2FePCO7 is a semiconducting phosphate-based material designed for potential use as a cathode in lithium-ion battery technology.
What is Li2FePCO7 used for?
What is the band gap of Li2FePCO7?
Is Li2FePCO7 a metal, semiconductor, or insulator?
Is Li2FePCO7 thermodynamically stable?
What is the crystal structure of Li2FePCO7?
What is the density of Li2FePCO7?
How many polymorphs of Li2FePCO7 are known?
What elements does Li2FePCO7 contain?
Where does the data for Li2FePCO7 come from?
How It Compares
Within the olivine phosphate cathodes class.
Within the diverse landscape of olivine-type phosphates, Li2FePCO7 occupies a unique structural niche compared to well-established benchmarks like LiFePO4. While LiFePO4 is the industry standard for stability and performance, Li2FePCO7 represents a more complex chemical iteration that expands the design space beyond simple orthophosphates, offering a distinct structural arrangement compared to related pyrophosphates like Li2MnP2O7.
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.
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