NaCo2O3
NaCo2O3 is a metastable, semiconducting layered oxide containing sodium, cobalt, and oxygen used in materials science research.
About NaCo2O3
NaCo2O3 is a semiconducting member of the layered sodium transition-metal oxide family. Its structural arrangement reflects the complex chemistry inherent to cobalt-based systems, where the arrangement of alkali ions and transition metal layers dictates its physical properties.
As a metastable phase, this compound is of significant interest to materials scientists exploring non-equilibrium synthesis pathways. Its unique electronic character makes it a candidate for fundamental studies in energy storage and electrochemical systems where structural stability and ion transport are critical.
Key Properties
Cross-validated computational properties for NaCo2O3, 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 NaCo2O3, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 0.71 | 0.0251 | -6.513 | 4.00 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0483 | -6.489 | 4.01 |
| P21 (No. 4) | monoclinic | 0.91 | 0.0679 | -6.470 | 3.95 |
| Cmc21 (No. 36) | orthorhombic | 0.00 | 0.1247 | -6.413 | 3.99 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.01 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.16 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.17 |
| Cmc21 (No. 36) | — | — | — | — | — |
| Cmc21 (No. 36) | — | — | — | — | — |
Applications
Where NaCo2O3 is used.
Frequently Asked Questions
Common questions about NaCo2O3, answered from cross-validated data.
What is NaCo2O3?
NaCo2O3 is a metastable, semiconducting layered oxide containing sodium, cobalt, and oxygen used in materials science research.
What is NaCo2O3 used for?
What is the band gap of NaCo2O3?
Is NaCo2O3 a metal, semiconductor, or insulator?
Is NaCo2O3 thermodynamically stable?
What is the crystal structure of NaCo2O3?
What is the density of NaCo2O3?
How many polymorphs of NaCo2O3 are known?
What elements does NaCo2O3 contain?
Where does the data for NaCo2O3 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the diverse family of layered sodium transition-metal oxides, NaCo2O3 occupies a distinct niche compared to more common, thermodynamically stable counterparts like NaCoO2. While NaCoO2 is widely recognized for its role in battery technology, NaCo2O3 represents a more complex, metastable stoichiometry that challenges conventional synthesis methods and offers a different structural perspective on cobalt-oxygen frameworks.
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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