NaNb3O8
Sodium triniobate is an inorganic ceramic material composed of sodium, niobium, and oxygen. It is primarily studied for its structural properties and potential utility in advanced electronic or catalytic applications.
Overview
Key Properties
Cross-validated computational properties for NaNb3O8, 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.
2.24–2.48 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
4 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for NaNb3O8, 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. |
|---|---|---|---|---|---|
| Pmmn (No. 59) | orthorhombic | 2.48 | 0.0000 | -8.894 | 4.12 |
| Ibam (No. 72) | orthorhombic | 2.24 | 0.0230 | -8.871 | 5.10 |
| — | — | — | — | — | 3.98 |
| Pmmn (No. 59) | — | — | — | — | — |
| Ibam (No. 72) | Orthorhombic | — | — | — | 5.10 |
| Ibam (No. 72) | Orthorhombic | — | — | — | 5.18 |
| Ibam (No. 72) | — | — | — | — | — |
| Ibam (No. 72) | Orthorhombic | — | — | — | 5.33 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 4.04 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 4.20 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 4.10 |
Uses
Applications
Where NaNb3O8 is used.
Materials science researchCatalysis studiesSolid-state chemistry
Reference
Frequently Asked Questions
Common questions about NaNb3O8, answered from cross-validated data.
What is NaNb3O8?
Sodium triniobate is an inorganic ceramic material composed of sodium, niobium, and oxygen. It is primarily studied for its structural properties and potential utility in advanced electronic or catalytic applications.
More questions
What is NaNb3O8 used for?
NaNb3O8 is used in materials science research, catalysis studies, and solid-state chemistry.
What is the band gap of NaNb3O8?
NaNb3O8 has a DFT-computed band gap of 2.24–2.48 eV across 11 reported structures.
Is NaNb3O8 a metal, semiconductor, or insulator?
With a band gap up to 2.48 eV it is a semiconductor.
Is NaNb3O8 thermodynamically stable?
Yes — NaNb3O8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of NaNb3O8?
The lowest-energy reported polymorph of NaNb3O8 is orthorhombic symmetry, space group Pmmn (No. 59).
What is the density of NaNb3O8?
The computed density of the ground-state structure of NaNb3O8 is 4.12 g/cm³.
How many polymorphs of NaNb3O8 are known?
11 structures of NaNb3O8 are reported across 4 databases, spanning 2 distinct space groups.
What elements does NaNb3O8 contain?
NaNb3O8 contains Na, Nb, and O (3 elements).
Where does the data for NaNb3O8 come from?
NaNb3O8 data is cross-referenced from materials_project, omat24, jarvis, mpaloe.
Explore
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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