Na4FeO5
Na4FeO5 is a metastable, semiconducting layered oxide containing sodium, iron, and oxygen that is primarily investigated for its potential in advanced energy storage applications.
About Na4FeO5
Na4FeO5 is a complex layered sodium transition-metal oxide that exhibits semiconducting electronic properties. As a metastable phase, it represents a unique structural arrangement within the broader family of sodium-based oxides, offering researchers a distinct platform to investigate ionic transport and structural stability in transition-metal frameworks. Its specific stoichiometry and atomic arrangement make it a subject of interest for fundamental materials science studies aimed at understanding the behavior of iron-based systems in non-equilibrium states. The compound is primarily utilized in academic and industrial research settings focused on the development of next-generation battery technologies where sodium-ion mobility is critical. By exploring its structural characteristics, scientists aim to unlock new pathways for designing high-performance cathode materials that leverage the abundance and cost-effectiveness of iron and sodium.
Key Properties
Cross-validated computational properties for Na4FeO5, 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 Na4FeO5, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.48 | 0.0287 | -5.339 | 3.18 |
| P4/n (No. 85) | tetragonal | 0.39 | 0.0367 | -5.331 | 2.95 |
| P1 (No. 1) | triclinic | 0.00 | 0.0462 | -5.322 | 2.95 |
| P1 (No. 1) | triclinic | 0.00 | 0.0477 | -5.320 | 2.95 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0508 | -5.317 | 3.11 |
| P4/n (No. 85) | tetragonal | 0.00 | 0.0581 | -5.310 | 2.97 |
| P1 (No. 1) | triclinic | 0.01 | 0.0590 | -5.309 | 2.96 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0598 | -5.308 | 2.95 |
| I4/m (No. 87) | tetragonal | 0.00 | 0.0781 | -5.290 | 2.98 |
| P-1 (No. 2) | triclinic | 0.00 | 2.3359 | -3.032 | 2.96 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.11 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.38 |
Applications
Where Na4FeO5 is used.
Frequently Asked Questions
Common questions about Na4FeO5, answered from cross-validated data.
What is Na4FeO5?
Na4FeO5 is a metastable, semiconducting layered oxide containing sodium, iron, and oxygen that is primarily investigated for its potential in advanced energy storage applications.
What is Na4FeO5 used for?
What is the band gap of Na4FeO5?
Is Na4FeO5 a metal, semiconductor, or insulator?
Is Na4FeO5 thermodynamically stable?
What is the crystal structure of Na4FeO5?
What is the density of Na4FeO5?
How many polymorphs of Na4FeO5 are known?
What elements does Na4FeO5 contain?
Where does the data for Na4FeO5 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the diverse family of layered sodium transition-metal oxides, Na4FeO5 occupies a niche position compared to more conventional members like NaFeO2 or NaCoO2. While compounds such as NaCoO2 are widely recognized for their robust electrochemical performance and stability, Na4FeO5 is distinguished by its metastable nature and specific oxygen-rich stoichiometry. This structural complexity differentiates it from the more common, thermodynamically stable phases in the class, positioning it as a specialized candidate for exploring unconventional electrochemical pathways.
Related Compounds
Other Layered Sodium Transition-Metal Oxides 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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