AlPO4

Aluminum phosphate · Berlinite

Aluminum phosphate is a stable, insulating inorganic compound widely utilized in catalysis and ceramic engineering.

AlOP
Crystal structure of AlPO4 (trigonal, P3121 (No. 152))
Ground-state structure · Materials Project
Overview

About Aluminum phosphate

Aluminum phosphate is a robust, wide-gap insulating material that exists in a highly stable state. Its structural versatility is evidenced by the extensive variety of reported crystal arrangements, making it a foundation for complex inorganic chemistry research.

Due to its inherent stability, this compound serves as a critical component in various industrial applications, particularly where thermal and chemical resilience are required. It is widely utilized in the development of specialized catalysts and as a structural precursor in material science.

At a glance

Key Properties

Cross-validated computational properties for Aluminum phosphate, aggregated across 4 databases.

Band Gap

0.02–5.79 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

91
4 databases, 34 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for AlPO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P3121 (No. 152)trigonal5.610.0000-7.9532.62
P3221 (No. 154)trigonal5.620.0001-7.9532.61
P2/c (No. 13)monoclinic5.640.0022-7.9502.64
I-4 (No. 82)tetragonal5.670.0067-7.9462.18
P21 (No. 4)monoclinic5.490.0075-7.9452.21
C2221 (No. 20)orthorhombic5.470.0077-7.9452.33
P6422 (No. 181)hexagonal5.490.0110-7.9422.38
C2 (No. 5)monoclinic5.460.0138-7.9392.11
R-3 (No. 148)trigonal5.670.0142-7.9381.93
Pnn2 (No. 34)orthorhombic5.730.0167-7.9361.65
Iba2 (No. 45)orthorhombic5.490.0172-7.9351.76
P21 (No. 4)monoclinic5.650.0174-7.9351.80
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting AlPO4.

Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Uses

Applications

Where Aluminum phosphate is used.

Industrial catalystsCeramic materialsDental cementsRefractory materials
Reference

Frequently Asked Questions

Common questions about Aluminum phosphate, answered from cross-validated data.

What is AlPO4?

Aluminum phosphate is a stable, insulating inorganic compound widely utilized in catalysis and ceramic engineering.

More questions
What is AlPO4 used for?
Aluminum phosphate (AlPO4) is used in industrial catalysts, ceramic materials, dental cements, and refractory materials.
What is the band gap of AlPO4?
Aluminum phosphate (AlPO4) has a DFT-computed band gap of 0.02–5.79 eV across 91 reported structures.
Is AlPO4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.79 eV it is an insulator / wide-band-gap material.
Is AlPO4 thermodynamically stable?
Yes — Aluminum phosphate (AlPO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of AlPO4?
The lowest-energy reported polymorph of Aluminum phosphate (AlPO4) is trigonal symmetry, space group P3121 (No. 152).
What is the density of AlPO4?
The computed density of the ground-state structure of Aluminum phosphate (AlPO4) is 2.62 g/cm³.
How many polymorphs of AlPO4 are known?
91 structures of AlPO4 are reported across 4 databases, spanning 34 distinct space groups.
How is AlPO4 synthesized?
Literature-reported routes for AlPO4 include sol-gel (4 procedures documented).
What elements does AlPO4 contain?
Aluminum phosphate (AlPO4) contains Al, O, and P (3 elements).
Where does the data for AlPO4 come from?
AlPO4 data is cross-referenced from materials_project.
Comparison

How It Compares

As a highly stable and well-documented material, aluminum phosphate represents a benchmark for structural complexity within its class, offering predictable insulating behavior that makes it a preferred choice for high-performance applications.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).

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