NaV3F10
This compound is a complex fluoride material containing sodium and vanadium. It is primarily studied in the context of solid-state chemistry and materials science research for its structural properties.
FNaV
Overview
Key Properties
Cross-validated computational properties for NaV3F10, 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.
0.57–1.32 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.
0.007 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for NaV3F10, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 0.57 | 0.0071 | -8.720 | 3.23 |
| Fdd2 (No. 43) | orthorhombic | 1.32 | 0.0937 | -8.634 | 3.03 |
| Fdd2 (No. 43) | Orthorhombic | — | — | — | 3.03 |
| Fdd2 (No. 43) | Orthorhombic | — | — | — | 3.27 |
| Fdd2 (No. 43) | Orthorhombic | — | — | — | 3.18 |
| Fdd2 (No. 43) | — | — | — | — | — |
Uses
Applications
Where NaV3F10 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about NaV3F10, answered from cross-validated data.
What is NaV3F10?
This compound is a complex fluoride material containing sodium and vanadium. It is primarily studied in the context of solid-state chemistry and materials science research for its structural properties.
More questions
What is NaV3F10 used for?
NaV3F10 is used in materials science research and solid-state chemistry studies.
What is the band gap of NaV3F10?
NaV3F10 has a DFT-computed band gap of 0.57–1.32 eV across 6 reported structures.
Is NaV3F10 a metal, semiconductor, or insulator?
With a band gap up to 1.32 eV it is a semiconductor.
Is NaV3F10 thermodynamically stable?
NaV3F10 has a lowest energy above hull of 0.007 eV/atom (near hull (likely stable)).
What is the crystal structure of NaV3F10?
The lowest-energy reported polymorph of NaV3F10 is monoclinic symmetry, space group Cc (No. 9).
What is the density of NaV3F10?
The computed density of the ground-state structure of NaV3F10 is 3.23 g/cm³.
How many polymorphs of NaV3F10 are known?
6 structures of NaV3F10 are reported across 3 databases, spanning 2 distinct space groups.
What elements does NaV3F10 contain?
NaV3F10 contains F, Na, and V (3 elements).
Where does the data for NaV3F10 come from?
NaV3F10 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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