H12O16P4
Tetraphosphoric acid · Polyphosphoric acid
Tetraphosphoric acid is a stable, insulating phosphorus-based compound used primarily as a chemical reagent and catalyst.
About Tetraphosphoric acid
Tetraphosphoric acid is a thermodynamically stable compound characterized by its insulating electronic nature. As a member of the polyphosphoric acid family, it plays a significant role in various chemical synthesis pathways and industrial processes where controlled acidification or dehydration is required. Its structural integrity is underscored by its presence on the convex hull, indicating a highly favorable energetic state among related phosphorus-based structures. The compound is frequently utilized in specialized chemical manufacturing and as a catalyst in organic synthesis, benefiting from its unique molecular arrangement and stability. Its wide-gap electronic profile makes it an interesting subject for fundamental studies in solid-state chemistry and materials science.
Key Properties
Cross-validated computational properties for Tetraphosphoric acid, 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 H12O16P4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 5.95 | 0.0000 | -6.309 | 1.87 |
| P21/c (No. 14) | monoclinic | 5.93 | 0.0000 | -6.309 | 2.09 |
| Pc (No. 7) | monoclinic | 5.91 | 0.0196 | -6.289 | 2.02 |
| P21/c (No. 14) | monoclinic | 5.64 | 0.0285 | -6.280 | 1.99 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.50 |
| P21/c (No. 14) | monoclinic | — | — | — | 0.52 |
| No. 0 | unknown | — | — | — | 0.51 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where Tetraphosphoric acid is used.
Frequently Asked Questions
Common questions about Tetraphosphoric acid, answered from cross-validated data.
What is H12O16P4?
Tetraphosphoric acid is a stable, insulating phosphorus-based compound used primarily as a chemical reagent and catalyst.
What is H12O16P4 used for?
What is the band gap of H12O16P4?
Is H12O16P4 a metal, semiconductor, or insulator?
Is H12O16P4 thermodynamically stable?
What is the crystal structure of H12O16P4?
What is the density of H12O16P4?
How many polymorphs of H12O16P4 are known?
What elements does H12O16P4 contain?
Where does the data for H12O16P4 come from?
How It Compares
As a distinct member of the polyphosphoric acid series, this compound represents a well-defined stoichiometric point of stability. Unlike more transient or highly reactive phosphorus-oxygen species, it maintains a robust structural framework that allows for reliable performance in industrial applications.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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