NbV
NbV is a metastable metallic compound formed from niobium and vanadium that is widely studied for its diverse structural configurations.
About NbV
NbV is a metallic binary compound composed of niobium and vanadium. As a metastable phase, it represents a complex structural arrangement that highlights the intricate alloying behavior between these two transition metals.
Its significance lies in the extensive structural data available for this composition, which serves as a benchmark for understanding phase stability in binary metallic systems. Researchers study this material to map the energetic landscape of niobium-vanadium alloys.
Key Properties
Cross-validated computational properties for NbV, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of NbV. 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 NbV, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0908 | -19.321 | 7.45 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.78 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 6.89 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 8.28 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 6.01 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 7.24 |
| P21 (No. 4) | Monoclinic | — | — | — | 7.04 |
| P212121 (No. 19) | Orthorhombic | — | — | — | 6.87 |
| P213 (No. 198) | Cubic | — | — | — | 6.72 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.82 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.56 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 7.17 |
Applications
Where NbV is used.
Frequently Asked Questions
Common questions about NbV, answered from cross-validated data.
What is NbV?
NbV is a metastable metallic compound formed from niobium and vanadium that is widely studied for its diverse structural configurations.
What is NbV used for?
What is the band gap of NbV?
Is NbV a metal, semiconductor, or insulator?
Is NbV thermodynamically stable?
What is the crystal structure of NbV?
What is the density of NbV?
How many polymorphs of NbV are known?
What elements does NbV contain?
Where does the data for NbV come from?
How It Compares
As a binary metallic phase, NbV occupies a unique position in the study of transition metal alloys, where its metastability makes it a subject of interest for understanding structural transitions compared to the more common solid-solution phases found in the niobium-vanadium binary system.
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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