KPO3

Potassium metaphosphate · Potassium polyphosphate

Potassium metaphosphate is a stable, insulating inorganic compound characterized by its structural diversity and utility in specialized industrial applications.

KOP
Crystal structure of KPO3 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for Potassium metaphosphate, aggregated across 3 databases.

Band Gap

0.77–5.24 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

12
3 databases, 5 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for KPO3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic5.130.0000-6.9642.44
P21/c (No. 14)monoclinic5.220.0004-6.9632.44
P21/c (No. 14)monoclinic5.240.0036-6.9602.34
Pa-3 (No. 205)cubic5.060.0099-6.9542.26
Pnma (No. 62)orthorhombic4.820.0135-6.9502.44
C2/m (No. 12)monoclinic3.310.2459-6.7181.94
P-1 (No. 2)triclinic0.771.4929-5.4712.21
Pnma (No. 62)
C2/m (No. 12)
Pnma (No. 62)Orthorhombic2.33
Pnma (No. 62)Orthorhombic2.29
Pnma (No. 62)Orthorhombic2.44
Uses

Applications

Where Potassium metaphosphate is used.

Food additiveFertilizer componentGlass manufacturingWater treatment
Reference

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.

More questions
What is KPO3 used for?
Potassium metaphosphate (KPO3) is used in food additive, fertilizer component, glass manufacturing, and water treatment.
What is the band gap of KPO3?
Potassium metaphosphate (KPO3) has a DFT-computed band gap of 0.77–5.24 eV across 12 reported structures.
Is KPO3 a metal, semiconductor, or insulator?
With a wide band gap up to 5.24 eV it is an insulator / wide-band-gap material.
Is KPO3 thermodynamically stable?
Yes — Potassium metaphosphate (KPO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of KPO3?
The lowest-energy reported polymorph of Potassium metaphosphate (KPO3) is monoclinic symmetry, space group P21/c (No. 14).
What is the density of KPO3?
The computed density of the ground-state structure of Potassium metaphosphate (KPO3) is 2.44 g/cm³.
How many polymorphs of KPO3 are known?
12 structures of KPO3 are reported across 3 databases, spanning 5 distinct space groups.
What elements does KPO3 contain?
Potassium metaphosphate (KPO3) contains K, O, and P (3 elements).
Where does the data for KPO3 come from?
KPO3 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

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
  • 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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