Nb2O5
Niobium pentoxide · Niobia
Niobium pentoxide is a stable, semiconducting metal oxide widely utilized in optical coatings, capacitors, and electrochromic smart glass technologies.
About Niobium pentoxide
Niobium pentoxide is a thermodynamically stable refractory-metal oxide that serves as a cornerstone material in modern materials science. Characterized by its semiconducting electronic nature, this compound is highly valued for its chemical robustness and structural diversity, with numerous distinct phases documented across research databases. Its ability to undergo reversible coloration makes it a primary candidate for smart window technologies and advanced electrochromic displays. Beyond its electronic applications, the material is prized for its high refractive index and excellent dielectric properties, which are essential for the production of high-performance optical components and capacitors. Its inherent stability ensures long-term reliability in demanding industrial environments where thermal and chemical resistance are critical.
Key Properties
Cross-validated computational properties for Niobium pentoxide, 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 Nb2O5, 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. |
|---|---|---|---|---|---|
| P2 (No. 3) | monoclinic | 1.77 | 0.0000 | -9.455 | 4.30 |
| P1 (No. 1) | triclinic | 1.76 | 0.0004 | -9.454 | 4.26 |
| C2/m (No. 12) | monoclinic | 1.97 | 0.0055 | -9.449 | 4.34 |
| I4/mmm (No. 139) | tetragonal | 1.56 | 0.0065 | -9.448 | 4.32 |
| C2/m (No. 12) | monoclinic | 2.17 | 0.0075 | -9.447 | 4.38 |
| P-1 (No. 2) | triclinic | 2.22 | 0.0119 | -9.443 | 4.48 |
| C2/c (No. 15) | monoclinic | 2.52 | 0.0166 | -9.438 | 5.10 |
| P212121 (No. 19) | orthorhombic | 2.52 | 0.0592 | -9.395 | 3.46 |
| P21/m (No. 11) | monoclinic | 2.60 | 0.0602 | -9.394 | 4.30 |
| P1 (No. 1) | triclinic | 0.98 | 0.1817 | -9.273 | 4.26 |
| C2 (No. 5) | monoclinic | 1.85 | 0.3420 | -9.113 | 5.30 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.90 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Nb2O5.
Applications
Where Niobium pentoxide is used.
Frequently Asked Questions
Common questions about Niobium pentoxide, answered from cross-validated data.
What is Nb2O5?
Niobium pentoxide is a stable, semiconducting metal oxide widely utilized in optical coatings, capacitors, and electrochromic smart glass technologies.
What is Nb2O5 used for?
What is the band gap of Nb2O5?
Is Nb2O5 a metal, semiconductor, or insulator?
Is Nb2O5 thermodynamically stable?
What is the crystal structure of Nb2O5?
What is the density of Nb2O5?
How many polymorphs of Nb2O5 are known?
How is Nb2O5 synthesized?
What elements does Nb2O5 contain?
Where does the data for Nb2O5 come from?
How It Compares
Within the electrochromic and refractory-metal oxides class.
Within the family of refractory-metal oxides, Nb2O5 stands out for its superior thermodynamic stability compared to more volatile or easily reduced counterparts like MoO3 or V2O5. While it shares the electrochromic utility found in WO3, niobium pentoxide often provides a distinct balance of optical clarity and structural resilience, making it a preferred choice for specialized thin-film applications where the phase complexity of Nb4O8 or NbO2 might be less desirable.
Related Compounds
Other Electrochromic and Refractory-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.
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