Na3PO4
Trisodium phosphate · TSP, Sodium phosphate tribasic
Trisodium phosphate is a stable, insulating inorganic salt commonly utilized for its cleaning, buffering, and water-softening properties.
About Trisodium phosphate
Trisodium phosphate is a robust, thermodynamically stable inorganic compound that exists as a wide-gap insulator. Its structural versatility is evidenced by its presence in multiple distinct crystallographic forms across various databases, highlighting its reliability in chemical synthesis and material processing.
This compound plays a critical role in various industrial sectors due to its predictable chemical behavior and stability. It is frequently utilized in applications requiring controlled alkalinity, effective cleaning properties, and water softening capabilities, making it a staple in both heavy-duty industrial and commercial formulations.
Key Properties
Cross-validated computational properties for Trisodium phosphate, 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 Na3PO4. 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 Na3PO4, 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. |
|---|---|---|---|---|---|
| — | — | 4.36 | 0.0000 | -2.459 | — |
| Pmn21 (No. 31) | orthorhombic | 4.02 | 0.0000 | -2.325 | — |
| Pm (No. 6) | monoclinic | 3.91 | 0.0000 | -6.172 | 2.42 |
| Pmn21 (No. 31) | orthorhombic | 3.89 | 0.0015 | -6.171 | 2.54 |
| — | — | 4.65 | 0.0028 | -2.456 | — |
| P-421c (No. 114) | tetragonal | 4.17 | 0.0050 | -6.167 | 2.64 |
| — | — | 4.26 | 0.0095 | -2.450 | — |
| Pmn21 (No. 31) | orthorhombic | 4.17 | 0.0121 | -2.313 | — |
| — | — | 3.73 | 0.0210 | -2.438 | — |
| — | — | 4.44 | 0.0362 | -2.423 | — |
| — | — | 4.13 | 0.0369 | -2.422 | — |
| — | — | 3.78 | 0.0403 | -2.419 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Na3PO4.
Applications
Where Trisodium phosphate is used.
Frequently Asked Questions
Common questions about Trisodium phosphate, answered from cross-validated data.
What is Na3PO4?
Trisodium phosphate is a stable, insulating inorganic salt commonly utilized for its cleaning, buffering, and water-softening properties.
What is Na3PO4 used for?
What is the band gap of Na3PO4?
Is Na3PO4 a metal, semiconductor, or insulator?
Is Na3PO4 thermodynamically stable?
What is the crystal structure of Na3PO4?
What is the density of Na3PO4?
How many polymorphs of Na3PO4 are known?
How is Na3PO4 synthesized?
What elements does Na3PO4 contain?
Where does the data for Na3PO4 come from?
How It Compares
As a highly stable and well-characterized inorganic salt, this compound serves as a foundational reference point for phosphate-based materials, demonstrating the structural consistency and reliable insulating properties expected of high-performance ionic solids.
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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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