Na2MoO4
Sodium molybdate · Disodium molybdate
Sodium molybdate is a stable, insulating salt widely utilized as a key source of molybdenum for industrial and agricultural applications.
About Sodium molybdate
Sodium molybdate is a stable inorganic salt that functions as an essential source of soluble molybdenum. Its insulating electronic character and structural robustness make it a reliable compound for various chemical synthesis and industrial treatment processes.
Because it exists on the thermodynamic convex hull, this compound is highly stable under standard conditions. Its widespread documentation across multiple structural databases underscores its importance as a fundamental material in inorganic chemistry and materials science.
Key Properties
Cross-validated computational properties for Sodium molybdate, 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 Na2MoO4. 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 Na2MoO4, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 4.40 | 0.0000 | -6.910 | 3.71 |
| Fd-3m (No. 227) | cubic | 4.37 | 0.0000 | -2.265 | — |
| — | — | 4.31 | 0.0000 | -2.310 | — |
| — | — | 4.46 | 0.0184 | -2.292 | — |
| — | — | 4.20 | 0.0213 | -2.289 | — |
| Fddd (No. 70) | orthorhombic | 4.04 | 0.0290 | -2.236 | — |
| Fddd (No. 70) | orthorhombic | 4.03 | 0.0292 | -2.236 | — |
| — | — | 4.20 | 0.0344 | -2.276 | — |
| — | — | 3.81 | 0.0355 | -2.275 | — |
| Fddd (No. 70) | orthorhombic | 4.18 | 0.0406 | -6.869 | 3.31 |
| Ama2 (No. 40) | orthorhombic | 4.24 | 0.0486 | -6.861 | 2.94 |
| — | — | 4.09 | 0.0780 | -2.232 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Na2MoO4.
Applications
Where Sodium molybdate is used.
Frequently Asked Questions
Common questions about Sodium molybdate, answered from cross-validated data.
What is Na2MoO4?
Sodium molybdate is a stable, insulating salt widely utilized as a key source of molybdenum for industrial and agricultural applications.
What is Na2MoO4 used for?
What is the band gap of Na2MoO4?
Is Na2MoO4 a metal, semiconductor, or insulator?
Is Na2MoO4 thermodynamically stable?
What is the crystal structure of Na2MoO4?
What is the density of Na2MoO4?
How many polymorphs of Na2MoO4 are known?
How is Na2MoO4 synthesized?
What elements does Na2MoO4 contain?
Where does the data for Na2MoO4 come from?
How It Compares
As a primary molybdate salt, this compound serves as a benchmark for the solubility and reactivity of molybdenum-based oxides, playing a central role in the development of industrial corrosion inhibitors and agricultural micronutrients.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
Analyze Na2MoO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →