Na2PHO3

disodium phosphite · disodium hydrogen phosphite

Na2PHO3 is a stable, insulating inorganic salt containing sodium, phosphorus, hydrogen, and oxygen.

HNaOP
Crystal structure of Na2PHO3 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for disodium phosphite, aggregated across 4 databases.

Band Gap

5.58 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
4 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Na2PHO3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic5.580.0000-5.9182.35
P21/c (No. 14)
P21/c (No. 14)Monoclinic2.47
No. 0unknown1.14
P21/c (No. 14)Monoclinic2.35
P21/c (No. 14)Monoclinic2.39
Uses

Applications

Where disodium phosphite is used.

Chemical synthesisLaboratory reagentMaterials science research
Reference

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.

More questions
What is Na2PHO3 used for?
disodium phosphite (Na2PHO3) is used in chemical synthesis, laboratory reagent, and materials science research.
What is the band gap of Na2PHO3?
disodium phosphite (Na2PHO3) has a DFT-computed band gap of 5.58 eV across 6 reported structures.
Is Na2PHO3 a metal, semiconductor, or insulator?
With a wide band gap up to 5.58 eV it is an insulator / wide-band-gap material.
Is Na2PHO3 thermodynamically stable?
Yes — disodium phosphite (Na2PHO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Na2PHO3?
The lowest-energy reported polymorph of disodium phosphite (Na2PHO3) is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Na2PHO3?
The computed density of the ground-state structure of disodium phosphite (Na2PHO3) is 2.35 g/cm³.
How many polymorphs of Na2PHO3 are known?
6 structures of Na2PHO3 are reported across 4 databases, spanning 2 distinct space groups.
What elements does Na2PHO3 contain?
disodium phosphite (Na2PHO3) contains H, Na, O, and P (4 elements).
Where does the data for Na2PHO3 come from?
Na2PHO3 data is cross-referenced from materials_project, jarvis, mpaloe, cod.
Comparison

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

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