Na2NiO2
Na2NiO2 is a semiconducting layered sodium transition-metal oxide that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
About Na2NiO2
Na2NiO2 is a member of the layered sodium transition-metal oxide family, characterized by its semiconducting electronic structure. This compound sits near the thermodynamic hull, suggesting it is a viable candidate for experimental synthesis and structural investigation.
Its significance lies in the ongoing search for stable electrode materials that can facilitate efficient ion transport. As researchers map the structural diversity of sodium-based oxides, this compound serves as a key point of interest for understanding how transition metal coordination influences material stability.
Key Properties
Cross-validated computational properties for Na2NiO2, 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 Na2NiO2, 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 | 0.07 | 0.0083 | -5.831 | 4.08 |
| P-1 (No. 2) | triclinic | 0.57 | 0.0317 | -5.860 | 3.87 |
| I4/mmm (No. 139) | tetragonal | 2.61 | 0.0411 | -4.974 | 2.29 |
| Cmc21 (No. 36) | orthorhombic | 0.00 | 0.0430 | -4.972 | 3.74 |
| Immm (No. 71) | orthorhombic | 2.02 | 0.0541 | -4.960 | 3.60 |
| Immm (No. 71) | Orthorhombic | — | — | — | 3.71 |
| I4/mmm (No. 139) | — | — | — | — | — |
| Immm (No. 71) | Orthorhombic | — | — | — | 3.60 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 3.97 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 2.35 |
| Immm (No. 71) | Orthorhombic | — | — | — | 3.77 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 3.90 |
Applications
Where Na2NiO2 is used.
Frequently Asked Questions
Common questions about Na2NiO2, answered from cross-validated data.
What is Na2NiO2?
Na2NiO2 is a semiconducting layered sodium transition-metal oxide that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
What is Na2NiO2 used for?
What is the band gap of Na2NiO2?
Is Na2NiO2 a metal, semiconductor, or insulator?
Is Na2NiO2 thermodynamically stable?
What is the crystal structure of Na2NiO2?
What is the density of Na2NiO2?
How many polymorphs of Na2NiO2 are known?
What elements does Na2NiO2 contain?
Where does the data for Na2NiO2 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the broader class of layered sodium transition-metal oxides, Na2NiO2 occupies a distinct niche compared to more common cathode materials like NaNiO2 or NaCoO2. While those siblings are frequently studied for their specific electrochemical cycling behaviors, Na2NiO2 represents a different stoichiometry that challenges traditional structural models for sodium-ion battery components.
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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