Na2CO3
sodium carbonate · soda ash, washing soda, soda crystals
Sodium carbonate is a stable, insulating salt widely used as a key industrial reagent and flux in glassmaking.
About sodium carbonate
Sodium carbonate is a robust, thermodynamically stable inorganic compound that exists as a wide-gap insulator. Its structural versatility is highlighted by its presence in numerous distinct crystallographic forms, making it a foundational material in industrial chemistry. The compound is highly valued for its ability to act as a strong flux and a reliable source of sodium ions in various chemical processes. Its stability ensures it remains a persistent and predictable component in both natural mineral deposits and synthetic applications. As a fundamental chemical reagent, it plays a critical role in large-scale manufacturing and laboratory settings. Its insulating nature and chemical reactivity make it indispensable for processes ranging from glass production to the neutralization of acidic environments in water treatment.
Key Properties
Cross-validated computational properties for sodium carbonate, 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 Na2CO3, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 4.19 | 0.0000 | -6.529 | 2.65 |
| C2/m (No. 12) | monoclinic | 3.82 | 0.0051 | -6.524 | 2.63 |
| C2/m (No. 12) | monoclinic | 3.35 | 0.0134 | -6.516 | 2.32 |
| P63/mmc (No. 194) | hexagonal | 3.14 | 0.0305 | -6.499 | 2.47 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.32 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.43 |
| P63/mmc (No. 194) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.44 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.48 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.36 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.55 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Na2CO3.
Applications
Where sodium carbonate is used.
Frequently Asked Questions
Common questions about sodium carbonate, answered from cross-validated data.
What is Na2CO3?
Sodium carbonate is a stable, insulating salt widely used as a key industrial reagent and flux in glassmaking.
What is Na2CO3 used for?
What is the band gap of Na2CO3?
Is Na2CO3 a metal, semiconductor, or insulator?
Is Na2CO3 thermodynamically stable?
What is the crystal structure of Na2CO3?
What is the density of Na2CO3?
How many polymorphs of Na2CO3 are known?
How is Na2CO3 synthesized?
What elements does Na2CO3 contain?
Where does the data for Na2CO3 come from?
How It Compares
As a highly stable and widely utilized compound, sodium carbonate serves as a benchmark for alkali metal carbonates. It occupies a central role in industrial chemistry, providing a reliable and accessible source of alkalinity that is essential for diverse manufacturing sectors.
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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