NaHO
Sodium hydroxide · Caustic soda, Lye
Sodium hydroxide is a highly reactive inorganic compound that functions as a strong base. It is widely utilized across various industrial sectors for its ability to neutralize acids and facilitate chemical synthesis.
HNaO
Overview
Key Properties
Cross-validated computational properties for Sodium hydroxide, 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.
2.79–3.35 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.
34
3 databases, 9 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for NaHO, 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 (No. 4) | monoclinic | 2.99 | 0.0000 | -4.773 | 2.29 |
| Pbcm (No. 57) | orthorhombic | 3.31 | 0.0014 | -4.772 | 2.37 |
| Cmcm (No. 63) | orthorhombic | 2.80 | 0.0092 | -4.764 | 2.16 |
| P21/m (No. 11) | monoclinic | 2.82 | 0.0102 | -4.763 | 2.16 |
| P4/nmm (No. 129) | tetragonal | 3.13 | 0.0290 | -4.744 | 2.12 |
| R3m (No. 160) | trigonal | 3.35 | 0.0476 | -4.725 | 2.08 |
| Pm (No. 6) | monoclinic | 2.90 | 0.0705 | -4.702 | 1.94 |
| Cm (No. 8) | monoclinic | 2.79 | 0.0721 | -4.701 | 1.97 |
| Pbcm (No. 57) | Orthorhombic | — | — | — | 2.23 |
| P21/m (No. 11) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P21 (No. 4) | — | — | — | — | — |
Uses
Applications
Where Sodium hydroxide is used.
Soap and detergent manufacturingPaper and pulp processingWater treatmentDrain cleaningFood processing
Reference
Frequently Asked Questions
Common questions about Sodium hydroxide, answered from cross-validated data.
What is NaHO?
Sodium hydroxide is a highly reactive inorganic compound that functions as a strong base. It is widely utilized across various industrial sectors for its ability to neutralize acids and facilitate chemical synthesis.
More questions
What is NaHO used for?
Sodium hydroxide (NaHO) is used in soap and detergent manufacturing, paper and pulp processing, water treatment, drain cleaning, and food processing.
What is the band gap of NaHO?
Sodium hydroxide (NaHO) has a DFT-computed band gap of 2.79–3.35 eV across 34 reported structures.
Is NaHO a metal, semiconductor, or insulator?
With a wide band gap up to 3.35 eV it is an insulator / wide-band-gap material.
Is NaHO thermodynamically stable?
Yes — Sodium hydroxide (NaHO) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of NaHO?
The lowest-energy reported polymorph of Sodium hydroxide (NaHO) is monoclinic symmetry, space group P21 (No. 4).
What is the density of NaHO?
The computed density of the ground-state structure of Sodium hydroxide (NaHO) is 2.29 g/cm³.
How many polymorphs of NaHO are known?
34 structures of NaHO are reported across 3 databases, spanning 9 distinct space groups.
What elements does NaHO contain?
Sodium hydroxide (NaHO) contains H, Na, and O (3 elements).
Where does the data for NaHO come from?
NaHO data is cross-referenced from materials_project, mpaloe, jarvis.
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).
Analyze NaHO in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →