NbO
Niobium monoxide · Niobium(II) oxide
Niobium monoxide is a metallic, thermodynamically stable refractory oxide that serves as a key material in the study of transition metal oxygen systems.
About Niobium monoxide
Niobium monoxide is a distinct member of the refractory-metal oxide family, characterized by its metallic electronic nature rather than the insulating behavior typical of many transition metal oxides. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration that has garnered significant interest in materials science research.
Its unique electronic properties make it a subject of extensive study, with hundreds of reported structures across major databases. This structural diversity underscores its importance in understanding the complex phase space of niobium-oxygen systems and its potential utility in advanced electronic and electrochromic applications.
Key Properties
Cross-validated computational properties for Niobium monoxide, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of NbO. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for NbO, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -9.812 | 7.07 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.7888 | -9.024 | 7.88 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.8240 | -8.988 | 5.45 |
| P1 (No. 1) | Triclinic | — | — | — | 4.54 |
| Fm-3m (No. 225) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.96 |
| P1 (No. 1) | Triclinic | — | — | — | 8.53 |
| P1 (No. 1) | Triclinic | — | — | — | 9.15 |
| P1 (No. 1) | Triclinic | — | — | — | 6.14 |
| P1 (No. 1) | Triclinic | — | — | — | 7.65 |
| P1 (No. 1) | Triclinic | — | — | — | 5.19 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 5.77 |
Applications
Where Niobium monoxide is used.
Frequently Asked Questions
Common questions about Niobium monoxide, answered from cross-validated data.
What is NbO?
Niobium monoxide is a metallic, thermodynamically stable refractory oxide that serves as a key material in the study of transition metal oxygen systems.
What is NbO used for?
What is the band gap of NbO?
Is NbO a metal, semiconductor, or insulator?
Is NbO thermodynamically stable?
What is the crystal structure of NbO?
What is the density of NbO?
How many polymorphs of NbO are known?
What elements does NbO contain?
Where does the data for NbO come from?
How It Compares
Within the electrochromic and refractory-metal oxides class.
Unlike its sibling Nb2O5, which is a well-known wide-gap insulator, NbO stands out due to its metallic character. While oxides like V2O5 and WO3 are extensively utilized for their electrochromic switching capabilities, NbO offers a different electronic profile that complements the broader class of molybdenum and niobium oxides, such as MoO2 and NbO2, by providing a stable, conductive pathway within the refractory oxide landscape.
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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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