Nb2O3
Nb2O3 is a metastable, metallic niobium oxide that serves as an important subject for structural research in the field of refractory-metal oxides.
About Nb2O3
Nb2O3 is a metallic oxide belonging to the refractory-metal class, characterized by its unique electronic behavior and metastable nature. Despite its metastability, it remains a significant subject of study within materials science due to the extensive structural data available across multiple databases.
This compound represents an intriguing phase within the niobium-oxygen system. Its metallic electronic character distinguishes it from many of its insulating or semiconducting counterparts, making it a valuable target for researchers investigating the fundamental properties of transition metal oxides.
Key Properties
Cross-validated computational properties for Nb2O3, 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 Nb2O3, 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 | 0.00 | 0.0811 | -9.582 | 6.51 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.54 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.52 |
| P1 (No. 1) | Triclinic | — | — | — | 4.93 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.69 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.33 |
| Immm (No. 71) | Orthorhombic | — | — | — | 8.98 |
| Immm (No. 71) | Orthorhombic | — | — | — | 5.65 |
| Immm (No. 71) | Orthorhombic | — | — | — | 6.70 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.18 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 7.76 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.42 |
Applications
Where Nb2O3 is used.
Frequently Asked Questions
Common questions about Nb2O3, answered from cross-validated data.
What is Nb2O3?
Nb2O3 is a metastable, metallic niobium oxide that serves as an important subject for structural research in the field of refractory-metal oxides.
What is Nb2O3 used for?
What is the band gap of Nb2O3?
Is Nb2O3 a metal, semiconductor, or insulator?
Is Nb2O3 thermodynamically stable?
What is the crystal structure of Nb2O3?
What is the density of Nb2O3?
How many polymorphs of Nb2O3 are known?
What elements does Nb2O3 contain?
Where does the data for Nb2O3 come from?
How It Compares
Within the electrochromic and refractory-metal oxides class.
Unlike the widely utilized and thermodynamically stable Nb2O5 or the semiconducting NbO2, Nb2O3 exists as a metastable phase, presenting a more complex challenge for synthesis and application. It shares the refractory-metal oxide classification with compounds like V2O5 and WO3, yet its metallic nature sets it apart from these traditional electrochromic materials that typically exhibit wider electronic gaps.
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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