Fe2Na8O8
Fe2Na8O8 is a stable, semiconducting iron-based oxide being researched for use in sodium-ion battery technology.
About Fe2Na8O8
Fe2Na8O8 is a semiconducting layered sodium transition-metal oxide that occupies a stable position on the convex hull. Its structural integrity and electronic properties make it a subject of significant interest for advanced electrochemical storage systems.
As a member of the sodium-rich oxide family, this compound is primarily investigated for its potential role in next-generation sodium-ion battery electrodes. Its ability to maintain structural stability during ion transport is essential for developing high-performance, sustainable energy storage technologies.
Key Properties
Cross-validated computational properties for Fe2Na8O8, aggregated across 4 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 Fe2Na8O8, 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 | 1.76 | 0.0000 | -5.362 | 3.00 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 2.80 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where Fe2Na8O8 is used.
Frequently Asked Questions
Common questions about Fe2Na8O8, answered from cross-validated data.
What is Fe2Na8O8?
Fe2Na8O8 is a stable, semiconducting iron-based oxide being researched for use in sodium-ion battery technology.
What is Fe2Na8O8 used for?
What is the band gap of Fe2Na8O8?
Is Fe2Na8O8 a metal, semiconductor, or insulator?
Is Fe2Na8O8 thermodynamically stable?
What is the crystal structure of Fe2Na8O8?
What is the density of Fe2Na8O8?
How many polymorphs of Fe2Na8O8 are known?
What elements does Fe2Na8O8 contain?
Where does the data for Fe2Na8O8 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the diverse class of layered sodium transition-metal oxides, Fe2Na8O8 stands out for its thermodynamic stability compared to more volatile variants like NaNiO2 or NaCoO2. While many members of this group are prized for their high capacity, this iron-based oxide offers a more earth-abundant and potentially cost-effective alternative to the cobalt-heavy structures often found in commercial applications.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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