NbV3O8
NbV3O8 is a metastable, semiconducting ternary oxide of niobium and vanadium studied for its complex structural arrangements.
About NbV3O8
NbV3O8 is a complex ternary oxide composed of niobium, vanadium, and oxygen. As a semiconducting material, it exhibits electronic properties that bridge the gap between traditional insulators and conductive oxides, making it a subject of interest for fundamental solid-state studies.
Due to its metastable nature, this compound represents a unique phase in the niobium-vanadium-oxygen system. Its structural diversity is highlighted by numerous reported configurations, reflecting the complex coordination environments possible within this multi-metal oxide framework.
Key Properties
Cross-validated computational properties for NbV3O8, 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.
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 NbV3O8, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.37 | 0.0380 | -9.048 | 4.25 |
| Cc (No. 9) | monoclinic | 1.23 | 0.1049 | -8.981 | 4.23 |
| P1 (No. 1) | triclinic | 1.18 | 0.1062 | -8.979 | 4.23 |
| Cmc21 (No. 36) | orthorhombic | 1.15 | 0.1092 | -8.976 | 4.24 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.05 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.45 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.21 |
| Cmc21 (No. 36) | — | — | — | — | — |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.24 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.68 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.41 |
| Cmc21 (No. 36) | — | — | — | — | — |
Applications
Where NbV3O8 is used.
Frequently Asked Questions
Common questions about NbV3O8, answered from cross-validated data.
What is NbV3O8?
NbV3O8 is a metastable, semiconducting ternary oxide of niobium and vanadium studied for its complex structural arrangements.
What is NbV3O8 used for?
What is the band gap of NbV3O8?
Is NbV3O8 a metal, semiconductor, or insulator?
Is NbV3O8 thermodynamically stable?
What is the crystal structure of NbV3O8?
What is the density of NbV3O8?
How many polymorphs of NbV3O8 are known?
What elements does NbV3O8 contain?
Where does the data for NbV3O8 come from?
How It Compares
As a specialized ternary oxide, NbV3O8 occupies a distinct niche in materials science. Unlike more common binary oxides, its complex stoichiometry allows for nuanced control over electronic properties, positioning it as a significant candidate for exploring phase stability and structural transitions in transition metal oxide systems.
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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