Prussian Blue Analogues
Open-framework hexacyanometallates with large interstitial sites that reversibly host Na+ and K+ ions. Aqueous synthesis at room temperature makes them among the cheapest cathode chemistries under development.
Class Statistics
What are Prussian Blue Analogues?
Prussian Blue Analogues (PBAs) are a versatile class of coordination polymers characterized by a rigid, open-framework structure composed of transition metal centers linked by cyanide bridges. Chemically, these materials typically follow the general formula AxM[M'(CN)6]y·zH2O, where A represents an alkali metal cation, such as sodium or potassium, and M and M' are transition metals like iron, manganese, nickel, or cobalt. The defining feature of PBAs is their three-dimensional lattice, which contains large interstitial sites and channels. These structural voids allow for the rapid, reversible insertion and extraction of guest ions, making them highly effective as electrode materials in electrochemical energy storage devices. Because PBAs can be synthesized through simple, low-temperature aqueous precipitation methods, they are considered exceptionally cost-effective compared to traditional transition metal oxide cathodes. Beyond their economic advantages, PBAs offer tunable electrochemical properties; by substituting the transition metal centers, researchers can adjust the operating voltage and structural stability of the framework. Notable members include Prussian Blue itself, iron hexacyanoferrate, and manganese-based analogues. These materials are currently at the forefront of research for sustainable, large-scale battery applications, particularly for grid-scale energy storage systems where low cost and long cycle life are critical requirements. Their ability to accommodate large ions like potassium makes them particularly promising for post-lithium-ion battery technologies, offering a pathway toward more abundant and environmentally friendly energy solutions.
Top Prussian Blue Analogues
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 |
|---|---|---|---|---|---|
| C4Cu4K4N4 | 2.61 eV | 0.1277 | Above hull | 1 | 0 |
| C8Cu4K4N8 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C12Fe2H12K8N12O6 | Metallic / not reported | — | Not assessed | 1 | 0 |
| KCuC2N2 | Metallic / not reported | — | Not assessed | 1 | 0 |
| Ag3C6K1Mn1N6 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C12Fe2K6N12 | Metallic / not reported | — | Not assessed | 1 | 0 |
| K2FeCuC6N6 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C12Co2K6N12 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C24Fe8N24Na5 | Metallic / not reported | — | Not assessed | 1 | 0 |
| KNiAu3C6N6 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C12Cs4Fe2N12Na2 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C12K6Mn2N12 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C24Fe8N24Na | Metallic / not reported | — | Not assessed | 1 | 0 |
| C2K2N4Ni2 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C2N4Na4Ni2 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C3FeN3Na | Metallic / not reported | — | Not assessed | 1 | 0 |
| C6Cu1Fe1K2N6 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C6CuFeK2N6 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C8Cu2K6N8 | Metallic / not reported | — | Not assessed | 1 | 0 |
| CCoK2N | Metallic / not reported | — | Not assessed | 1 | 0 |
| KCoAu3C6N6 | Metallic / not reported | — | Not assessed | 1 | 0 |
| Ag4C8Cu2K2N8 | Metallic / not reported | — | Not assessed | 1 | 0 |
| Au3C6Co1K1N6 | Metallic / not reported | — | Not assessed | 1 | 0 |
| Au3C6K1N6Ni1 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C12Co2Cs4K2N12 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C12Co2Cs4N12Na2 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C12Co2N12Na2Rb4 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C12Cs4Fe2K2N12 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C12Cs4K2Mn2N12 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C12Cs4Mn2N12Na2 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C12Mn2N12Na2Rb4 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C14H24K1Mn1N8 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C24Au12Co4K4N24 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C24Cu4Fe4K8N24 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C24Fe8N24Na3 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C6Au3KN6Ni | Metallic / not reported | — | Not assessed | 1 | 0 |
| C6Co1Fe1K2N6 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C6CoFeK2N6 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C6CoK3N6 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C6CrMnN6Na | Metallic / not reported | — | Not assessed | 1 | 0 |
| C6Cu1Fe1N6Na2 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C6Fe1K2N6Ni1 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C6Fe2N6Na | Metallic / not reported | — | Not assessed | 1 | 0 |
| C6FeMnN6Na2 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C8H4K4N16Ni4S8 | Metallic / not reported | — | Not assessed | 1 | 0 |
| C8K4N8Ni2 | Metallic / not reported | — | Not assessed | 1 | 0 |
| K2FeCoC6N6 | Metallic / not reported | — | Not assessed | 1 | 0 |
| K2FeNiC6N6 | Metallic / not reported | — | Not assessed | 1 | 0 |
| KMnAg3C6N6 | Metallic / not reported | — | Not assessed | 1 | 0 |
| KMnH24C14N8 | Metallic / not reported | — | Not assessed | 1 | 0 |
Frequently Asked Questions
How many prussian blue analogues are in the database?
52 prussian blue analogues are tracked, of which 0 have multi-source DFT validation and 0 have documented synthesis routes.
What is the most data-rich prussian blue analogue?
Which prussian blue analogue has the widest band gap?
Why are Prussian Blue Analogues considered sustainable?
What makes the structure of PBAs unique for battery applications?
Can PBAs be used with different types of alkali metal ions?
What is the primary challenge in using PBAs in commercial batteries?
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