PO4

PO4 is a semiconducting phosphorus oxide species that is typically found in a metastable state.

OP
Crystal structure of PO4
Ground-state structure · Materials Project
Overview

About PO4

PO4 is a phosphorus-oxygen species characterized by its semiconducting electronic nature. While it appears in various structural configurations within computational databases, it is generally found to be thermodynamically unstable relative to more common phosphorus oxide phases. Its existence is primarily of interest in theoretical studies of phosphorus-based materials and high-energy chemical environments. Because it sits above the thermodynamic hull, it is rarely encountered as a stable bulk material in ambient conditions. Instead, it serves as a critical building block or transient intermediate in the broader landscape of phosphorus chemistry and materials science.

At a glance

Key Properties

Cross-validated computational properties for PO4, aggregated across 2 databases.

Band Gap

0.50 eV
Range across DFT structures

Energy Above Hull

0.389 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

35
2 databases, 14 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting PO4.

Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Uses

Applications

Where PO4 is used.

Theoretical materials researchChemical vapor deposition studiesFundamental phosphorus chemistry
Intellectual Property

Patent Landscape

15 patents reference PO4 or close compositional variants.

PatentTitleAssigneeGranted
4410393Preparation of steel surfaces for adhesive bonding by etching with H.sub.3 PO.sub.4 -polyhydric alcohol mixtur
12148916Metal-doped sodium vanadium fluorophosphate/sodium vanadium phosphate (Na3V2(PO4)2F3/Na3V2(PO4)3) composite fo
5141614Sputtering process for preparing vitreous compositions based on Li.sub.3 PO.sub.4 and LiPO.sub.3 as network fo
5085953Vitreous compositions based on Li.sub.3 PO.sub.4 and LiPO.sub.3 as network formers and network modifiers
3993733Food grade alkali metal phosphates from wet process H.sub.3 PO.sub.4
4578249Process for recovery of uranium from wet process H.sub.3 PO.sub.4
10749199Li1+xAlxTi2-x(PO4)3 solid-state thin film electrolyte for 3D microbattery and method of fabrication
4482436Use of H.sub.2 SO.sub.4 H.sub.3 PO.sub.4 to remove electrolytic deposits from silver cathode surfaces
11658336Lithium-ion solid state conductor containing a compound of Li1+(4-a)αHf2-αMaα(PO4-δ)3, Electrode and battery i
4083933Process for preparing AlH.sub.3 (PO.sub.4).sub.2 .multidot.3H.sub.2 O
Reference

Frequently Asked Questions

Common questions about PO4, answered from cross-validated data.

What is PO4?

PO4 is a semiconducting phosphorus oxide species that is typically found in a metastable state.

More questions
What is PO4 used for?
PO4 is used in theoretical materials research, chemical vapor deposition studies, and fundamental phosphorus chemistry.
What is the band gap of PO4?
PO4 has a DFT-computed band gap of 0.50 eV across 35 reported structures.
Is PO4 a metal, semiconductor, or insulator?
With a band gap up to 0.50 eV it is a semiconductor.
Is PO4 thermodynamically stable?
PO4 has a lowest energy above hull of 0.389 eV/atom (above hull).
How many polymorphs of PO4 are known?
35 structures of PO4 are reported across 2 databases, spanning 14 distinct space groups.
How is PO4 synthesized?
Literature-reported routes for PO4 include sol gel (10 procedures documented).
What elements does PO4 contain?
PO4 contains O and P (2 elements).
Where does the data for PO4 come from?
PO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique phosphorus-oxygen species, PO4 represents a specialized case within the broader family of phosphorus oxides. Unlike more stable, naturally occurring oxides of phosphorus, this compound is distinguished by its high-energy state and theoretical structural diversity, making it a subject of interest for understanding metastable phases in inorganic chemistry.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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