NbVO5
Niobium vanadium oxide is a mixed-metal oxide material often studied for its electrochemical properties. It is primarily investigated as a potential electrode material for advanced energy storage devices due to its structural characteristics.
NbOV
Overview
Key Properties
Cross-validated computational properties for NbVO5, aggregated across 3 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.
1.75–2.18 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
13
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for NbVO5, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.09 | 0.0000 | -8.990 | 3.15 |
| P21/c (No. 14) | monoclinic | 2.18 | 0.0025 | -8.988 | 3.13 |
| P4/nmm (No. 129) | tetragonal | 1.75 | 0.0289 | -8.962 | 3.72 |
| P4/n (No. 85) | tetragonal | 1.79 | 0.0292 | -8.961 | 3.65 |
| P4/n (No. 85) | Tetragonal | — | — | — | 3.65 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.28 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.06 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.13 |
| Pnma (No. 62) | — | — | — | — | — |
| P4/n (No. 85) | — | — | — | — | — |
| P4/n (No. 85) | Tetragonal | — | — | — | 3.94 |
| P4/n (No. 85) | Tetragonal | — | — | — | 3.75 |
Uses
Applications
Where NbVO5 is used.
Lithium-ion batteriesElectrochemical researchCatalysis
Reference
Frequently Asked Questions
Common questions about NbVO5, answered from cross-validated data.
What is NbVO5?
Niobium vanadium oxide is a mixed-metal oxide material often studied for its electrochemical properties. It is primarily investigated as a potential electrode material for advanced energy storage devices due to its structural characteristics.
More questions
What is NbVO5 used for?
NbVO5 is used in lithium-ion batteries, electrochemical research, and catalysis.
What is the band gap of NbVO5?
NbVO5 has a DFT-computed band gap of 1.75–2.18 eV across 13 reported structures.
Is NbVO5 a metal, semiconductor, or insulator?
With a band gap up to 2.18 eV it is a semiconductor.
Is NbVO5 thermodynamically stable?
Yes — NbVO5 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of NbVO5?
The lowest-energy reported polymorph of NbVO5 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of NbVO5?
The computed density of the ground-state structure of NbVO5 is 3.15 g/cm³.
How many polymorphs of NbVO5 are known?
13 structures of NbVO5 are reported across 3 databases, spanning 4 distinct space groups.
What elements does NbVO5 contain?
NbVO5 contains Nb, O, and V (3 elements).
Where does the data for NbVO5 come from?
NbVO5 data is cross-referenced from materials_project, mpaloe, jarvis.
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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