Class Statistics
What are Layered Sodium Transition-Metal Oxides?
Layered sodium transition-metal oxides, typically represented by the general formula NaxMO2, represent the most prominent class of cathode materials for sodium-ion battery technology. Structurally, these materials consist of alternating layers of transition-metal oxide octahedra and sodium-ion planes. The classification of these materials is primarily dictated by the coordination environment of the sodium ions and the stacking sequence of the oxygen layers, most notably categorized into O3-type and P2-type structures. In O3-type materials, sodium ions occupy octahedral sites, while in P2-type materials, they reside in prismatic sites. The chemistry of these oxides is highly versatile, allowing for the substitution of various transition metals such as manganese, iron, nickel, and cobalt into the metal layers to tune electrochemical performance. These materials are of critical importance because they offer a sustainable, cost-effective alternative to lithium-ion cathodes. By utilizing earth-abundant elements like manganese and iron, these oxides significantly mitigate supply-chain risks and reduce raw material costs. While they may exhibit lower energy density compared to their lithium-based counterparts, their excellent rate capability and structural stability during repeated ion intercalation make them ideal for large-scale energy storage and electric mobility applications. Notable members of this family include manganese-rich phases, which are favored for their low cost, and nickel-manganese-cobalt variants, which are engineered to optimize capacity and voltage retention.
Top Layered Sodium Transition-Metal Oxides
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 |
|---|---|---|---|---|---|
| NaFeO2 | 0.19–2.57 eV | 0.0000 | On hull (stable) | 2 | 4 |
| Na2TiO3 | 1.31–3.20 eV | 0.0102 | Near hull (likely stable) | 2 | 3 |
| NaMnO2 | 0.08–1.23 eV | 0.0000 | On hull (stable) | 2 | 1 |
| NaNiO2 | 0.12–0.69 eV | 0.0000 | On hull (stable) | 3 | 0 |
| Na2Ti3O7 | 3.00 eV | 0.0000 | On hull (stable) | 2 | 2 |
| NaCoO2 | 0.16–2.25 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Na2CoO3 | 0.10–0.97 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Na2FeO3 | 0.01–1.89 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Na3CoO3 | 0.02–1.86 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Na4Ti5O12 | 2.47–2.94 eV | 0.0000 | On hull (stable) | 2 | 1 |
| Fe2Na8O8 | 1.76 eV | 0.0000 | On hull (stable) | 3 | 0 |
| NaMn2O4 | 0.40–0.61 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Mn2Na2O4 | 0.08–1.23 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Na3NiO2 | 0.20–1.72 eV | 0.0070 | Near hull (likely stable) | 2 | 0 |
| MnNaO2 | 0.08–1.23 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Fe4Na4O8 | 0.19–2.57 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Na3FeO4 | 0.15–0.71 eV | 0.0199 | Near hull (likely stable) | 2 | 0 |
| NaTiO2 | 0.09 eV | 0.0081 | Near hull (likely stable) | 2 | 0 |
| Na3MnO3 | 0.61–1.37 eV | 0.0224 | Near hull (likely stable) | 2 | 0 |
| Na3CoO2 | 0.01–1.35 eV | 0.0015 | Near hull (likely stable) | 2 | 0 |
| Na2NiO2 | 0.07–2.61 eV | 0.0083 | Near hull (likely stable) | 2 | 0 |
| Na2FeO2 | 0.04–1.26 eV | 0.0532 | Metastable | 2 | 0 |
| Na2MnO4 | Metallic / not reported | 0.0838 | Metastable | 2 | 3 |
| Na2FeO4 | 1.14–1.37 eV | 0.0707 | Metastable | 2 | 0 |
| Na3FeO3 | 1.02–2.35 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Na4FeO5 | 0.01–0.48 eV | 0.0287 | Metastable | 2 | 0 |
| NaCrO2 | 0.71–2.89 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Na2MnO3 | 1.45–1.92 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Na2Mn2O3 | 0.03 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Na2Ti2O5 | 3.06–3.88 eV | 0.0131 | Near hull (likely stable) | 2 | 0 |
| NaCr3O8 | 1.79–2.02 eV | 0.0000 | On hull (stable) | 2 | 0 |
| NaMnO4 | 1.96 eV | 0.0636 | Metastable | 2 | 0 |
| Na2Co2O3 | 1.36 eV | 0.0062 | Near hull (likely stable) | 2 | 0 |
| Na2CrO4 | 2.81–3.01 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Na2NiO3 | 0.85–1.31 eV | 0.0406 | Metastable | 2 | 0 |
| Na4TiO4 | 3.24–3.32 eV | 0.0000 | On hull (stable) | 2 | 0 |
| NaFe2O3 | 0.29–1.42 eV | 0.0863 | Metastable | 2 | 0 |
| Na2MnO2 | 0.27–0.88 eV | 0.0056 | Near hull (likely stable) | 2 | 0 |
| Na3NiO3 | 0.03 eV | 0.0055 | Near hull (likely stable) | 2 | 0 |
| Na5Mn7O16 | 0.61 eV | 0.0388 | Metastable | 2 | 0 |
| NaCo2O3 | 0.71–0.91 eV | 0.0251 | Metastable | 2 | 0 |
| Na4CoO4 | 0.17–1.30 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Na6NiO4 | 1.26–1.79 eV | 0.0082 | Near hull (likely stable) | 2 | 0 |
| Cr2Na4O8 | 2.81–3.01 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Na2Cr2O7 | 2.53–2.62 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Na4MnO4 | 0.69–0.79 eV | 0.0006 | On hull (stable) | 2 | 0 |
| Na4NiO4 | 0.79 eV | 0.0391 | Metastable | 2 | 0 |
| Na5CoO4 | 1.46–1.66 eV | 0.0001 | On hull (stable) | 2 | 0 |
| Co1Na1O2 | 0.16–2.25 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Cr4K6Na2O16 | 3.08 eV | 0.0000 | On hull (stable) | 2 | 0 |
Frequently Asked Questions
How many layered sodium transition-metal oxides are in the database?
1,224 layered sodium transition-metal oxides are tracked, of which 98 have multi-source DFT validation and 8 have documented synthesis routes.
What is the most data-rich layered sodium transition-metal oxide?
Which layered sodium transition-metal oxide has the widest band gap?
What is the primary difference between O3 and P2 structures?
Why are layered sodium oxides considered more sustainable than lithium-ion cathodes?
Do layered sodium oxides suffer from moisture sensitivity?
How does transition metal substitution affect the performance of these materials?
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