Na5CoO4
Na5CoO4 is a stable, semiconducting sodium transition-metal oxide used in the study of electrochemical energy storage materials.
About Na5CoO4
Na5CoO4 belongs to the class of layered sodium transition-metal oxides, characterized by a robust structural arrangement that facilitates ion mobility. As a thermodynamically stable phase residing on the convex hull, it represents a highly favorable configuration within the sodium-cobalt-oxygen chemical space.
This semiconducting oxide is primarily investigated for its potential in advanced electrochemical energy storage. Its unique electronic properties and stable framework make it a significant candidate for researchers aiming to optimize electrode materials for next-generation sodium-ion battery technologies.
Key Properties
Cross-validated computational properties for Na5CoO4, 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 Na5CoO4, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 1.46 | 0.0001 | -4.885 | 2.95 |
| Pbca (No. 61) | orthorhombic | 1.53 | 0.0138 | -4.871 | 2.73 |
| Pmn21 (No. 31) | orthorhombic | 1.66 | 0.0443 | -4.841 | 2.86 |
| Pmn21 (No. 31) | — | — | — | — | — |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 2.86 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 2.97 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 2.97 |
Applications
Where Na5CoO4 is used.
Frequently Asked Questions
Common questions about Na5CoO4, answered from cross-validated data.
What is Na5CoO4?
Na5CoO4 is a stable, semiconducting sodium transition-metal oxide used in the study of electrochemical energy storage materials.
What is Na5CoO4 used for?
What is the band gap of Na5CoO4?
Is Na5CoO4 a metal, semiconductor, or insulator?
Is Na5CoO4 thermodynamically stable?
What is the crystal structure of Na5CoO4?
What is the density of Na5CoO4?
How many polymorphs of Na5CoO4 are known?
What elements does Na5CoO4 contain?
Where does the data for Na5CoO4 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the diverse family of layered sodium transition-metal oxides, Na5CoO4 occupies a distinct niche compared to more common cathode materials like NaCoO2. While NaCoO2 is widely recognized for its well-documented layered structure and electrochemical performance, Na5CoO4 offers a different stoichiometric balance that influences its structural stability and electronic behavior, providing a valuable alternative for exploring varied intercalation chemistries.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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