Li2CoP2O7
Li2CoP2O7 is a wide-band-gap insulating phosphate compound being studied as a potential cathode material for lithium-ion battery applications.
About Li2CoP2O7
Li2CoP2O7 is a complex phosphate-based material categorized within the olivine phosphate family. Characterized by its wide-band-gap insulating electronic nature, this compound represents a significant structural variation within the lithium-cobalt-phosphorus-oxygen system. Its thermodynamic stability near the hull suggests it is a viable candidate for experimental synthesis and structural characterization.
As a material of interest in energy storage research, it benefits from a rich data landscape with numerous reported structures. Its potential utility lies in its ability to host lithium ions within a stable framework, making it a subject of investigation for next-generation cathode development where structural integrity and ion mobility are critical.
Key Properties
Cross-validated computational properties for Li2CoP2O7, 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 Li2CoP2O7, 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 | 2.68 | 0.0138 | -7.216 | 2.63 |
| P21 (No. 4) | monoclinic | 3.01 | 0.0146 | -7.215 | 2.88 |
| P-1 (No. 2) | triclinic | 3.26 | 0.0155 | -7.214 | 2.93 |
| P1 (No. 1) | triclinic | 3.21 | 0.0175 | -7.212 | 2.95 |
| P21/c (No. 14) | monoclinic | 2.37 | 0.0274 | -7.203 | 2.98 |
| P-1 (No. 2) | triclinic | 3.01 | 0.0342 | -7.196 | 3.07 |
| P1 (No. 1) | triclinic | 2.84 | 0.0362 | -7.194 | 3.00 |
| P21/c (No. 14) | monoclinic | 3.12 | 0.0364 | -7.194 | 3.02 |
| P-1 (No. 2) | triclinic | 2.87 | 0.0433 | -7.187 | 3.06 |
| P21/c (No. 14) | monoclinic | 3.14 | 0.0446 | -7.185 | 3.01 |
| Imma (No. 74) | orthorhombic | 2.24 | 0.0546 | -7.175 | 2.63 |
| Pna21 (No. 33) | orthorhombic | 3.12 | 0.0570 | -7.173 | 2.94 |
Applications
Where Li2CoP2O7 is used.
Frequently Asked Questions
Common questions about Li2CoP2O7, answered from cross-validated data.
What is Li2CoP2O7?
Li2CoP2O7 is a wide-band-gap insulating phosphate compound being studied as a potential cathode material for lithium-ion battery applications.
What is Li2CoP2O7 used for?
What is the band gap of Li2CoP2O7?
Is Li2CoP2O7 a metal, semiconductor, or insulator?
Is Li2CoP2O7 thermodynamically stable?
What is the crystal structure of Li2CoP2O7?
What is the density of Li2CoP2O7?
How many polymorphs of Li2CoP2O7 are known?
What elements does Li2CoP2O7 contain?
Where does the data for Li2CoP2O7 come from?
How It Compares
Within the olivine phosphate cathodes class.
Within the broader class of olivine phosphates and pyrophosphates, Li2CoP2O7 occupies a distinct structural niche compared to the more conventional LiFePO4 or LiCoPO4. While its siblings like LiFeP2O7 or Li2MnP2O7 often serve as benchmarks for electrochemical performance, this specific cobalt-based pyrophosphate offers a unique coordination environment that differentiates it from the simpler olivine structures, providing researchers with an alternative pathway for tuning cathode properties.
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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