NaFePO4
maricite · sodium iron phosphate
NaFePO4 is a stable, insulating transition-metal phosphate being researched as a sustainable cathode material for sodium-ion batteries.
About maricite
NaFePO4 is a transition-metal phosphate that exists as a thermodynamically stable phase on the convex hull. As a wide-band-gap insulator, its electronic properties are characteristic of its structural framework, which has been extensively documented across multiple databases. Its stability and composition make it a significant subject of study for advanced electrochemical applications.
This compound plays a critical role in the development of sustainable battery technologies. By leveraging the abundance of sodium, researchers utilize this material to explore high-performance cathode alternatives that could potentially reduce reliance on scarcer elements in energy storage systems.
Key Properties
Cross-validated computational properties for maricite, 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 NaFePO4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.26 | 0.0000 | -7.414 | 3.79 |
| Pnma (No. 62) | orthorhombic | 3.58 | 0.0049 | -7.409 | 3.67 |
| Cmcm (No. 63) | orthorhombic | 3.14 | 0.0058 | -7.408 | 3.58 |
| Pnma (No. 62) | orthorhombic | 0.53 | 0.0404 | -7.374 | 3.39 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.85 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.46 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.66 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.58 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.69 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.58 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.69 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.39 |
Applications
Where maricite is used.
Frequently Asked Questions
Common questions about maricite, answered from cross-validated data.
What is NaFePO4?
NaFePO4 is a stable, insulating transition-metal phosphate being researched as a sustainable cathode material for sodium-ion batteries.
What is NaFePO4 used for?
What is the band gap of NaFePO4?
Is NaFePO4 a metal, semiconductor, or insulator?
Is NaFePO4 thermodynamically stable?
What is the crystal structure of NaFePO4?
What is the density of NaFePO4?
How many polymorphs of NaFePO4 are known?
What elements does NaFePO4 contain?
Where does the data for NaFePO4 come from?
How It Compares
Within the transition-metal phosphates class.
Within the family of transition-metal phosphates, NaFePO4 serves as a sodium-based counterpart to the widely utilized LiFePO4. While LiFePO4 is the industry standard for lithium-ion battery cathodes, NaFePO4 offers a distinct structural and chemical profile that provides a pathway for sodium-ion battery innovation, contrasting with other members like LiMnPO4 and LiCoPO4 which are typically optimized for different voltage windows and energy densities.
Related Compounds
Other Transition-Metal Phosphates 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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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