Class Statistics
What are Olivine Phosphate Cathodes?
Olivine phosphate cathodes represent a critical class of polyanionic cathode materials characterized by their distinct orthorhombic crystalline structure, which resembles the mineral olivine. The most prominent member of this family is lithium iron phosphate (LiFePO4), commonly referred to as LFP. Chemically, these materials consist of a robust framework where transition metal cations are octahedrally coordinated and linked by phosphate tetrahedra. This strong covalent bonding between the phosphorus and oxygen atoms provides exceptional structural stability, preventing the oxygen release that often leads to thermal runaway in other cathode chemistries. Because of this inherent stability, olivine-based batteries are highly regarded for their safety and longevity, often enduring thousands of charge-discharge cycles with minimal degradation. Beyond safety, the olivine structure is prized for its flat discharge voltage profile, which simplifies battery management systems. Furthermore, the absence of expensive or ethically contentious elements like cobalt makes these cathodes an economically attractive and sustainable choice for large-scale energy storage and electric vehicle applications. While they traditionally suffer from lower electronic and ionic conductivity compared to layered oxide cathodes, advancements in nanotechnology—such as carbon coating and particle size reduction—have largely mitigated these kinetic limitations. Today, olivine phosphate cathodes serve as the backbone for cost-effective, long-lasting battery technologies, facilitating the global transition toward renewable energy and electrified transportation.
Top Olivine Phosphate Cathodes
Ranked by data richness — literature synthesis coverage, multi-source DFT corroboration, and patent activity.
| Formula | Band Gap | Best EAH (eV/atom) | Stability | DFT Sources | Recipes |
|---|---|---|---|---|---|
| LiFePO4 | 2.60–3.92 eV | 0.0000 | On hull (stable) | 2 | 72 |
| LiMnPO4 | 0.10–3.77 eV | 0.0000 | On hull (stable) | 2 | 10 |
| LiCoPO4 | 0.06–3.37 eV | 0.0000 | On hull (stable) | 2 | 9 |
| LiFeP2O7 | 0.04–2.75 eV | 0.0000 | On hull (stable) | 2 | 1 |
| Co4Li4O16P4 | 0.06–3.37 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Fe2Li2O8P2 | 2.60–3.92 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Fe4Li4O16P4 | 2.60–3.92 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Li2MnP2O7 | 0.67–4.35 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Li2Ni2O8P2 | 2.57–4.32 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Li4Mn4O16P4 | 0.10–3.77 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Li4Ni4O16P4 | 2.57–4.32 eV | 0.0000 | On hull (stable) | 2 | 0 |
| LiMnO4P | 0.10–3.77 eV | 0.0000 | On hull (stable) | 2 | 0 |
| LiMnP2O7 | 0.09–1.73 eV | 0.0000 | On hull (stable) | 2 | 0 |
| LiNiPO4 | 2.57–4.32 eV | 0.0000 | On hull (stable) | 2 | 0 |
| LiNiP2O7 | 0.02–0.58 eV | 0.0491 | Metastable | 2 | 0 |
| LiCoP2O7 | 0.69–2.16 eV | 0.0349 | Metastable | 2 | 0 |
| Li2Mn2O14P4 | 0.09–1.73 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Li2CoP2O7 | 0.07–3.28 eV | 0.0138 | Near hull (likely stable) | 2 | 0 |
| Li2MnO7P2 | 0.67–4.35 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Li3MnPCO7 | 1.47–4.28 eV | 0.0473 | Metastable | 2 | 0 |
| LiFe2P3O10 | 3.17 eV | 0.0000 | On hull (stable) | 1 | 2 |
| Li2FeP2O7 | 0.12–4.46 eV | 0.0044 | Near hull (likely stable) | 2 | 0 |
| Li2FePCO7 | 1.79–2.49 eV | 0.0083 | Near hull (likely stable) | 2 | 0 |
| Li2NiP2O7 | 0.71–4.67 eV | 0.0042 | Near hull (likely stable) | 2 | 0 |
| LiFePCO7 | 0.03–0.15 eV | 0.0597 | Metastable | 2 | 0 |
| Li3FePCO7 | 0.80–4.37 eV | 0.0379 | Metastable | 2 | 0 |
| Co12Li12O48P12 | 0.06–3.37 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Co3Li3O12P3 | 0.06–3.37 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Co8Li8O32P8 | 0.06–3.37 eV | 0.0000 | On hull (stable) | 1 | 0 |
| CoLiO4P | 0.06–3.37 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Fe6Li6O24P6 | 2.60–3.92 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Fe8Li8O32P8 | 2.60–3.92 eV | 0.0000 | On hull (stable) | 1 | 0 |
| FeLiO4P | 2.60–3.92 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Li3Mn3O12P3 | 0.10–3.77 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Li6Ni6O24P6 | 2.57–4.32 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Li8Mn8O32P8 | 0.10–3.77 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Li8Ni8O32P8 | 2.57–4.32 eV | 0.0000 | On hull (stable) | 1 | 0 |
| LiNiO4P | 2.57–4.32 eV | 0.0000 | On hull (stable) | 1 | 0 |
| LiMnP3HO10 | 0.87–1.85 eV | 0.0332 | Metastable | 2 | 0 |
| LiFePH2O5 | 3.16–3.87 eV | 0.0281 | Metastable | 2 | 0 |
| Fe2Li2O14P4 | 0.04–2.75 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Li2MnPCO7 | 0.40–1.99 eV | 0.0109 | Near hull (likely stable) | 2 | 0 |
| Li2MnPO4F | 3.33–4.02 eV | 0.0272 | Metastable | 2 | 0 |
| LiMnO7P2 | 0.09–1.73 eV | 0.0000 | On hull (stable) | 1 | 0 |
| LiMnPH2O5 | 3.12–3.72 eV | 0.0214 | Near hull (likely stable) | 2 | 0 |
| Li2FePHO5 | 3.52–3.98 eV | 0.0468 | Metastable | 2 | 0 |
| LiMnP2HO7 | 4.07–4.75 eV | 0.0271 | Metastable | 2 | 0 |
| Li4Mn2O14P4 | 0.67–4.35 eV | 0.0000 | On hull (stable) | 1 | 0 |
| LiFe2P2HO8 | 3.26–3.80 eV | 0.0265 | Metastable | 2 | 0 |
| LiMn2P2HO8 | 3.62–3.80 eV | 0.0370 | Metastable | 2 | 0 |
Frequently Asked Questions
How many olivine phosphate cathodes are in the database?
348 olivine phosphate cathodes are tracked, of which 53 have multi-source DFT validation and 5 have documented synthesis routes.
What is the most data-rich olivine phosphate cathode?
Which olivine phosphate cathode has the widest band gap?
Why are olivine phosphate cathodes considered safer than other lithium-ion chemistries?
What is the primary advantage of the olivine crystal structure?
Do olivine phosphate cathodes contain cobalt?
How do manufacturers overcome the low conductivity of olivine materials?
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