CaPO4

CaPO4 is a metastable, semiconducting inorganic compound composed of calcium, phosphorus, and oxygen.

CaOP
Crystal structure of CaPO4
Ground-state structure · Materials Project
Overview

About CaPO4

CaPO4 is a complex inorganic compound composed of calcium, phosphorus, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from standard insulating phosphates, making it a subject of interest for specialized solid-state applications.

Because it exists in a metastable state, this compound requires precise synthesis conditions to stabilize its structure. Its existence across multiple reported structural configurations highlights the structural flexibility inherent in calcium-phosphorus-oxygen systems.

At a glance

Key Properties

Cross-validated computational properties for CaPO4, aggregated across 3 databases.

Band Gap

0.49 eV
Range across DFT structures

Energy Above Hull

0.097 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

10
3 databases, 2 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting CaPO4.

Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where CaPO4 is used.

Solid-state researchSemiconductor material investigationFundamental materials science
Reference

Frequently Asked Questions

Common questions about CaPO4, answered from cross-validated data.

What is CaPO4?

CaPO4 is a metastable, semiconducting inorganic compound composed of calcium, phosphorus, and oxygen.

More questions
What is CaPO4 used for?
CaPO4 is used in solid-state research, semiconductor material investigation, and fundamental materials science.
What is the band gap of CaPO4?
CaPO4 has a DFT-computed band gap of 0.49 eV across 10 reported structures.
Is CaPO4 a metal, semiconductor, or insulator?
With a band gap up to 0.49 eV it is a semiconductor.
Is CaPO4 thermodynamically stable?
CaPO4 has a lowest energy above hull of 0.097 eV/atom (metastable).
How many polymorphs of CaPO4 are known?
10 structures of CaPO4 are reported across 3 databases, spanning 2 distinct space groups.
How is CaPO4 synthesized?
Literature-reported routes for CaPO4 include sol gel, solid state (10 procedures documented).
What elements does CaPO4 contain?
CaPO4 contains Ca, O, and P (3 elements).
Where does the data for CaPO4 come from?
CaPO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic phase, CaPO4 occupies a distinct niche within the broader landscape of calcium phosphate materials. Unlike more common, highly stable calcium phosphates often utilized in biological or structural contexts, this specific stoichiometry represents a more elusive, metastable semiconducting variant that provides researchers with a different electronic profile for fundamental materials exploration.

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

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