NaAsO2
Sodium arsenite · Sodium metaarsenite
Sodium arsenite is an inorganic compound that historically served as a primary component in various chemical formulations. It has been utilized in industrial processes and as a precursor for other arsenic-containing materials.
AsNaO
Overview
Key Properties
Cross-validated computational properties for Sodium arsenite, aggregated across 4 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.
3.63–3.74 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
4 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for NaAsO2, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 3.74 | 0.0000 | -5.834 | 3.50 |
| Pbca (No. 61) | orthorhombic | 3.63 | 0.0009 | -5.833 | 3.42 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.1980 | -5.959 | 2.65 |
| Pbca (No. 61) | Orthorhombic | — | — | — | 3.09 |
| Pbca (No. 61) | Orthorhombic | — | — | — | 3.30 |
| Pbca (No. 61) | Orthorhombic | — | — | — | 3.16 |
| Pbca (No. 61) | Orthorhombic | — | — | — | 3.17 |
| Pbca (No. 61) | Orthorhombic | — | — | — | 3.24 |
| Pbca (No. 61) | — | — | — | — | — |
| Pbca (No. 61) | Orthorhombic | — | — | — | 3.38 |
| No. 0 | unknown | — | — | — | 0.44 |
Uses
Applications
Where Sodium arsenite is used.
Wood preservationHerbicide productionChemical synthesisDye manufacturing
Reference
Frequently Asked Questions
Common questions about Sodium arsenite, answered from cross-validated data.
What is NaAsO2?
Sodium arsenite is an inorganic compound that historically served as a primary component in various chemical formulations. It has been utilized in industrial processes and as a precursor for other arsenic-containing materials.
More questions
What is NaAsO2 used for?
Sodium arsenite (NaAsO2) is used in wood preservation, herbicide production, chemical synthesis, and dye manufacturing.
What is the band gap of NaAsO2?
Sodium arsenite (NaAsO2) has a DFT-computed band gap of 3.63–3.74 eV across 11 reported structures.
Is NaAsO2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.74 eV it is an insulator / wide-band-gap material.
Is NaAsO2 thermodynamically stable?
Yes — Sodium arsenite (NaAsO2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of NaAsO2?
The lowest-energy reported polymorph of Sodium arsenite (NaAsO2) is orthorhombic symmetry, space group Pbca (No. 61).
What is the density of NaAsO2?
The computed density of the ground-state structure of Sodium arsenite (NaAsO2) is 3.50 g/cm³.
How many polymorphs of NaAsO2 are known?
11 structures of NaAsO2 are reported across 4 databases, spanning 3 distinct space groups.
What elements does NaAsO2 contain?
Sodium arsenite (NaAsO2) contains As, Na, and O (3 elements).
Where does the data for NaAsO2 come from?
NaAsO2 data is cross-referenced from materials_project, mpaloe, jarvis, cod.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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