Na2PHO3
disodium phosphite · disodium hydrogen phosphite
Na2PHO3 is a stable, insulating inorganic salt containing sodium, phosphorus, hydrogen, and oxygen.
About disodium phosphite
Na2PHO3 is a thermodynamically stable inorganic compound that exhibits wide-gap insulating electronic characteristics. As a member of the phosphite family, it maintains structural integrity under standard conditions, making it a reliable subject for chemical research and materials development. Its position on the convex hull underscores its inherent stability, which is essential for its role in specialized chemical synthesis and laboratory applications. The compound has been extensively cataloged across multiple databases, reflecting its well-defined structural profile and importance in inorganic chemistry.
Key Properties
Cross-validated computational properties for disodium phosphite, 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 Na2PHO3. 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 Na2PHO3, 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. |
|---|---|---|---|---|---|
| — | — | 6.07 | 0.0000 | -2.087 | — |
| P21/c (No. 14) | monoclinic | 5.99 | 0.0000 | -1.952 | — |
| P21/c (No. 14) | monoclinic | 5.58 | 0.0000 | -5.893 | 2.35 |
| P21/c (No. 14) | monoclinic | — | — | — | 2.47 |
| P21/c (No. 14) | monoclinic | — | — | — | 2.35 |
| P21/c (No. 14) | monoclinic | — | — | — | 2.39 |
Applications
Where disodium phosphite is used.
Frequently Asked Questions
Common questions about disodium phosphite, answered from cross-validated data.
What is Na2PHO3?
Na2PHO3 is a stable, insulating inorganic salt containing sodium, phosphorus, hydrogen, and oxygen.
What is Na2PHO3 used for?
What is the band gap of Na2PHO3?
Is Na2PHO3 a metal, semiconductor, or insulator?
Is Na2PHO3 thermodynamically stable?
What is the crystal structure of Na2PHO3?
How many polymorphs of Na2PHO3 are known?
What elements does Na2PHO3 contain?
Where does the data for Na2PHO3 come from?
How It Compares
As a distinct inorganic phosphite, Na2PHO3 serves as a foundational example of stable phosphorus-based salts. Without direct structural siblings in this specific class, it stands as a reference point for understanding the behavior of alkali metal phosphite frameworks and their insulating properties in solid-state chemistry.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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