Na5VO5
Na5VO5 is a semiconducting sodium vanadium oxide that is considered a viable candidate for experimental synthesis due to its near-hull thermodynamic stability.
About Na5VO5
Na5VO5 is a sodium-rich vanadium oxide characterized by its semiconducting electronic nature. As a material located near the thermodynamic hull, it represents a promising candidate for experimental synthesis and structural characterization within the broader family of alkali metal vanadates.
Its structural complexity is highlighted by its presence across multiple materials databases, suggesting a rich landscape of possible configurations. This compound serves as a valuable subject for researchers investigating the interplay between alkali metal coordination and vanadium oxidation states in solid-state systems.
Key Properties
Cross-validated computational properties for Na5VO5, 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 Na5VO5, 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. |
|---|---|---|---|---|---|
| Pbcm (No. 57) | orthorhombic | 2.28 | 0.0021 | -5.735 | 2.56 |
| C2/c (No. 15) | monoclinic | 2.46 | 0.0582 | -5.679 | 2.73 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.73 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.89 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.82 |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where Na5VO5 is used.
Frequently Asked Questions
Common questions about Na5VO5, answered from cross-validated data.
What is Na5VO5?
Na5VO5 is a semiconducting sodium vanadium oxide that is considered a viable candidate for experimental synthesis due to its near-hull thermodynamic stability.
What is Na5VO5 used for?
What is the band gap of Na5VO5?
Is Na5VO5 a metal, semiconductor, or insulator?
Is Na5VO5 thermodynamically stable?
What is the crystal structure of Na5VO5?
What is the density of Na5VO5?
How many polymorphs of Na5VO5 are known?
What elements does Na5VO5 contain?
Where does the data for Na5VO5 come from?
How It Compares
As a unique entry in the landscape of sodium vanadium oxides, Na5VO5 provides a distinct structural profile that differentiates it from more common, highly stable vanadium-based phases. Its position near the thermodynamic stability limit makes it a compelling subject for targeted synthesis efforts aimed at exploring new semiconducting materials.
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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