CaPHO4

calcium hydrogen phosphate · monocalcium phosphate, calcium monohydrogen phosphate

CaPHO4 is a stable, insulating calcium phosphate compound frequently used in biological and industrial applications.

CaHOP
Crystal structure of CaPHO4
Ground-state structure · Materials Project
Overview

About calcium hydrogen phosphate

CaPHO4 is a thermodynamically stable inorganic compound that exists firmly on the convex hull, indicating significant structural robustness. As a wide-gap insulating material, it plays a critical role in the chemistry of calcium phosphates, which are foundational to both geological and biological systems.

Its structural versatility is evidenced by multiple reported crystalline forms, allowing it to function effectively in various chemical environments. The compound is widely utilized where stable, biocompatible phosphate sources are required, serving as a key component in materials science and nutritional chemistry.

At a glance

Key Properties

Cross-validated computational properties for calcium hydrogen phosphate, aggregated across 3 databases.

Band Gap

5.05–5.43 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

6
3 databases, 3 space groups
Uses

Applications

Where calcium hydrogen phosphate is used.

dietary supplementstoothpaste additivespharmaceutical excipientsbone graft substitutes
Reference

Frequently Asked Questions

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

What is CaPHO4?

CaPHO4 is a stable, insulating calcium phosphate compound frequently used in biological and industrial applications.

More questions
What is CaPHO4 used for?
calcium hydrogen phosphate (CaPHO4) is used in dietary supplements, toothpaste additives, pharmaceutical excipients, and bone graft substitutes.
What is the band gap of CaPHO4?
calcium hydrogen phosphate (CaPHO4) has a DFT-computed band gap of 5.05–5.43 eV across 6 reported structures.
Is CaPHO4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.43 eV it is an insulator / wide-band-gap material.
Is CaPHO4 thermodynamically stable?
Yes — calcium hydrogen phosphate (CaPHO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CaPHO4 are known?
6 structures of CaPHO4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does CaPHO4 contain?
calcium hydrogen phosphate (CaPHO4) contains Ca, H, O, and P (4 elements).
Where does the data for CaPHO4 come from?
CaPHO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a primary calcium phosphate, CaPHO4 serves as a fundamental reference point for the study of mineral stability and phase transitions within the broader class of calcium-based inorganic compounds.

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

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