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.

MoNaO
Crystal structure of Na2MoO4 (cubic, Fd-3m (No. 227))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for Sodium molybdate, aggregated across 4 databases.

Band Gap

4.18–4.40 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

12
4 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Na2MoO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fd-3m (No. 227)cubic4.400.0000-6.9103.71
Fddd (No. 70)orthorhombic4.180.0406-6.8693.31
Fd-3m (No. 227)Cubic3.46
Fd-3m (No. 227)Cubic3.80
Fd-3m (No. 227)Cubic3.57
Fddd (No. 70)Orthorhombic3.06
Fddd (No. 70)Orthorhombic3.35
Fddd (No. 70)Orthorhombic3.15
Fd-3m (No. 227)cubic0.91
Fddd (No. 70)
Fddd (No. 70)
Fd-3m (No. 227)
Uses

Applications

Where Sodium molybdate is used.

Corrosion inhibitorAgricultural fertilizer additiveMetal finishingChemical catalyst precursor
Reference

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.

More questions
What is Na2MoO4 used for?
Sodium molybdate (Na2MoO4) is used in corrosion inhibitor, agricultural fertilizer additive, metal finishing, and chemical catalyst precursor.
What is the band gap of Na2MoO4?
Sodium molybdate (Na2MoO4) has a DFT-computed band gap of 4.18–4.40 eV across 12 reported structures.
Is Na2MoO4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.40 eV it is an insulator / wide-band-gap material.
Is Na2MoO4 thermodynamically stable?
Yes — Sodium molybdate (Na2MoO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Na2MoO4?
The lowest-energy reported polymorph of Sodium molybdate (Na2MoO4) is cubic symmetry, space group Fd-3m (No. 227).
What is the density of Na2MoO4?
The computed density of the ground-state structure of Sodium molybdate (Na2MoO4) is 3.71 g/cm³.
How many polymorphs of Na2MoO4 are known?
12 structures of Na2MoO4 are reported across 4 databases, spanning 2 distinct space groups.
What elements does Na2MoO4 contain?
Sodium molybdate (Na2MoO4) contains Mo, Na, and O (3 elements).
Where does the data for Na2MoO4 come from?
Na2MoO4 data is cross-referenced from materials_project, mpaloe, cod, jarvis.
Comparison

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. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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