Na4WO4
Na4WO4 is a metastable, insulating sodium tungstate compound primarily utilized in fundamental materials science research.
About Na4WO4
Na4WO4 is a complex oxide featuring sodium and tungsten, characterized by its wide-band-gap insulating electronic profile. Its existence as a metastable phase makes it a subject of interest for researchers investigating phase transitions and structural evolution in alkali-metal tungstates.
Due to its unique composition, this material is studied for its structural diversity, with multiple reported configurations across various databases. Its insulating nature and specific stoichiometry suggest potential utility in specialized chemical synthesis or as a precursor in materials engineering.
Key Properties
Cross-validated computational properties for Na4WO4, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Na4WO4. 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 Na4WO4, 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. |
|---|---|---|---|---|---|
| I4/m (No. 87) | tetragonal | 2.29 | 0.0000 | -1.953 | — |
| I4/m (No. 87) | tetragonal | 0.45 | 0.0335 | -1.919 | — |
| — | — | 2.25 | 0.0446 | -1.934 | — |
| I4/m (No. 87) | tetragonal | 3.06 | 0.0535 | -6.080 | 4.34 |
| I4/m (No. 87) | tetragonal | — | — | — | 4.34 |
| I4/m (No. 87) | tetragonal | — | — | — | 4.72 |
| I4/m (No. 87) | tetragonal | — | — | — | 4.47 |
Applications
Where Na4WO4 is used.
Frequently Asked Questions
Common questions about Na4WO4, answered from cross-validated data.
What is Na4WO4?
Na4WO4 is a metastable, insulating sodium tungstate compound primarily utilized in fundamental materials science research.
What is Na4WO4 used for?
What is the band gap of Na4WO4?
Is Na4WO4 a metal, semiconductor, or insulator?
Is Na4WO4 thermodynamically stable?
What is the crystal structure of Na4WO4?
How many polymorphs of Na4WO4 are known?
What elements does Na4WO4 contain?
Where does the data for Na4WO4 come from?
How It Compares
As a metastable inorganic compound, Na4WO4 represents a distinct structural arrangement within the broader family of alkali metal tungstates, serving as a valuable point of reference for understanding the stability limits of oxygen-rich sodium-tungsten systems.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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