Na3PO4
Trisodium phosphate · TSP, Sodium phosphate tribasic
Trisodium phosphate is a highly soluble inorganic salt that acts as a strong cleaning agent and degreaser. It is commonly used in industrial and household settings to prepare surfaces for painting or to remove heavy grime.
NaOP
Overview
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.
0.13–4.30 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
3 databases, 6 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| Pm (No. 6) | monoclinic | 3.92 | 0.0000 | -6.172 | 2.42 |
| Pmn21 (No. 31) | orthorhombic | 3.87 | 0.0015 | -6.171 | 2.54 |
| P-421c (No. 114) | tetragonal | 4.30 | 0.0050 | -6.167 | 2.64 |
| P21/c (No. 14) | monoclinic | 0.14 | 0.1973 | -6.310 | 2.47 |
| I4/mmm (No. 139) | tetragonal | 0.13 | 0.5632 | -5.609 | 2.74 |
| P42/mnm (No. 136) | tetragonal | 0.39 | 0.6093 | -5.563 | 2.50 |
| Pmn21 (No. 31) | — | — | — | — | — |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 2.42 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 2.53 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 2.47 |
| Pmn21 (No. 31) | — | — | — | — | — |
Uses
Applications
Where Trisodium phosphate is used.
Industrial cleaningFood additiveWater treatmentStain removalSurface preparation
Reference
Frequently Asked Questions
Common questions about Trisodium phosphate, answered from cross-validated data.
What is Na3PO4?
Trisodium phosphate is a highly soluble inorganic salt that acts as a strong cleaning agent and degreaser. It is commonly used in industrial and household settings to prepare surfaces for painting or to remove heavy grime.
More questions
What is Na3PO4 used for?
Trisodium phosphate (Na3PO4) is used in industrial cleaning, food additive, water treatment, stain removal, and surface preparation.
What is the band gap of Na3PO4?
Trisodium phosphate (Na3PO4) has a DFT-computed band gap of 0.13–4.30 eV across 11 reported structures.
Is Na3PO4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.30 eV it is an insulator / wide-band-gap material.
Is Na3PO4 thermodynamically stable?
Yes — Trisodium phosphate (Na3PO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Na3PO4?
The lowest-energy reported polymorph of Trisodium phosphate (Na3PO4) is monoclinic symmetry, space group Pm (No. 6).
What is the density of Na3PO4?
The computed density of the ground-state structure of Trisodium phosphate (Na3PO4) is 2.42 g/cm³.
How many polymorphs of Na3PO4 are known?
11 structures of Na3PO4 are reported across 3 databases, spanning 6 distinct space groups.
What elements does Na3PO4 contain?
Trisodium phosphate (Na3PO4) contains Na, O, and P (3 elements).
Where does the data for Na3PO4 come from?
Na3PO4 data is cross-referenced from materials_project, jarvis, mpaloe.
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.
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