KPO3
Potassium metaphosphate · Potassium polyphosphate
Potassium metaphosphate is a stable, insulating inorganic compound characterized by its structural diversity and utility in specialized industrial applications.
About Potassium metaphosphate
Potassium metaphosphate is a stable inorganic compound that exists as a wide-gap insulator. Its structural versatility is evidenced by its presence in multiple distinct crystallographic forms, making it a subject of interest for fundamental materials research.
Because it remains stable on the convex hull, this material serves as a reliable building block in various chemical systems. Its insulating nature and structural integrity allow it to function effectively in environments where electronic conductivity must be strictly avoided.
Key Properties
Cross-validated computational properties for Potassium metaphosphate, 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 KPO3. 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 KPO3, 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. |
|---|---|---|---|---|---|
| — | — | 5.40 | 0.0000 | -2.571 | — |
| Pnma (No. 62) | orthorhombic | 5.17 | 0.0000 | -2.355 | — |
| P21/c (No. 14) | monoclinic | 5.04 | 0.0000 | -6.964 | 2.44 |
| P21/c (No. 14) | monoclinic | 4.99 | 0.0004 | -6.963 | 2.44 |
| — | — | 5.39 | 0.0036 | -2.567 | — |
| P21/c (No. 14) | monoclinic | 5.06 | 0.0036 | -6.960 | 2.34 |
| — | — | 5.55 | 0.0040 | -2.567 | — |
| Pa-3 (No. 205) | cubic | 5.06 | 0.0099 | -6.954 | 2.26 |
| Pnma (No. 62) | orthorhombic | 4.83 | 0.0135 | -6.950 | 2.44 |
| — | — | 5.37 | 0.0148 | -2.556 | — |
| — | — | 5.68 | 0.0237 | -2.547 | — |
| — | — | 5.38 | 0.0257 | -2.545 | — |
Applications
Where Potassium metaphosphate is used.
Frequently Asked Questions
Common questions about Potassium metaphosphate, answered from cross-validated data.
What is KPO3?
Potassium metaphosphate is a stable, insulating inorganic compound characterized by its structural diversity and utility in specialized industrial applications.
What is KPO3 used for?
What is the band gap of KPO3?
Is KPO3 a metal, semiconductor, or insulator?
Is KPO3 thermodynamically stable?
What is the crystal structure of KPO3?
What is the density of KPO3?
How many polymorphs of KPO3 are known?
What elements does KPO3 contain?
Where does the data for KPO3 come from?
How It Compares
As a standalone representative of its chemical family, potassium metaphosphate serves as a primary benchmark for understanding the structural and electronic behavior of alkali metal phosphates. Its thermodynamic stability distinguishes it as a robust reference point for researchers investigating the broader landscape of phosphate-based materials.
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)
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