H2Na4O18P6
Sodium acid hexametaphosphate · SHMP, Sodium polyphosphate
This compound is a glassy phosphate material widely used as a sequestering agent and water treatment chemical. It functions by binding to metal ions, which helps prevent scale formation and corrosion in industrial and domestic water systems.
Key Properties
Cross-validated computational properties for Sodium acid hexametaphosphate, 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.
Reported Structures
Lowest-energy structures reported for H2Na4O18P6, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 5.23 | 0.0000 | -6.955 | 2.40 |
| P-1 (No. 2) | triclinic | 5.26 | 0.0051 | -6.950 | 2.49 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 1.60 |
Applications
Where Sodium acid hexametaphosphate is used.
Frequently Asked Questions
Common questions about Sodium acid hexametaphosphate, answered from cross-validated data.
What is H2Na4O18P6?
This compound is a glassy phosphate material widely used as a sequestering agent and water treatment chemical. It functions by binding to metal ions, which helps prevent scale formation and corrosion in industrial and domestic water systems.
What is H2Na4O18P6 used for?
What is the band gap of H2Na4O18P6?
Is H2Na4O18P6 a metal, semiconductor, or insulator?
Is H2Na4O18P6 thermodynamically stable?
What is the crystal structure of H2Na4O18P6?
What is the density of H2Na4O18P6?
How many polymorphs of H2Na4O18P6 are known?
What elements does H2Na4O18P6 contain?
Where does the data for H2Na4O18P6 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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