Na3NbO4
Na3NbO4 is a thermodynamically stable, wide-gap insulating perovskite oxide used in solid-state materials research.
About Na3NbO4
Na3NbO4 is a thermodynamically stable member of the perovskite oxide family, characterized by its wide-band-gap insulating electronic profile. Its position on the convex hull signifies high structural integrity, making it a reliable subject for fundamental materials science investigations. The compound has been documented across multiple structural databases, reflecting significant interest in its crystallographic diversity. It serves as a foundational material for understanding complex oxide behavior, particularly in systems where stable insulating frameworks are required for electronic or structural applications. Its unique composition of sodium, niobium, and oxygen allows it to function as a stable host lattice in various solid-state environments.
Key Properties
Cross-validated computational properties for Na3NbO4, 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 Na3NbO4, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 3.77 | 0.0000 | -6.744 | 3.87 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.68 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.85 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.77 |
| — | — | — | — | — | 2.84 |
Applications
Where Na3NbO4 is used.
Frequently Asked Questions
Common questions about Na3NbO4, answered from cross-validated data.
What is Na3NbO4?
Na3NbO4 is a thermodynamically stable, wide-gap insulating perovskite oxide used in solid-state materials research.
What is Na3NbO4 used for?
What is the band gap of Na3NbO4?
Is Na3NbO4 a metal, semiconductor, or insulator?
Is Na3NbO4 thermodynamically stable?
What is the crystal structure of Na3NbO4?
What is the density of Na3NbO4?
How many polymorphs of Na3NbO4 are known?
What elements does Na3NbO4 contain?
Where does the data for Na3NbO4 come from?
How It Compares
Within the perovskite oxides class.
Unlike the transition-metal-rich perovskites such as LaNiO3 or LaMnO3, which often exhibit complex magnetic or metallic behaviors, Na3NbO4 is a robust insulator. While materials like BaTiO3 are widely utilized for their ferroelectric properties, Na3NbO4 is distinguished by its thermodynamic stability and specific electronic character, positioning it as a distinct alternative to the more common lanthanum-based perovskites like LaAlO3 or LaFeO3.
Related Compounds
Other Perovskite 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.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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