Ca16O36P8

Ca16O36P8 is a stable, insulating calcium phosphate compound used primarily in fundamental materials science research.

CaOP
Crystal structure of Ca16O36P8
Ground-state structure · Materials Project
Overview

About Ca16O36P8

Ca16O36P8 is a thermodynamically stable inorganic compound composed of calcium, oxygen, and phosphorus. As a wide-gap insulator, it exhibits electronic properties characteristic of highly stable dielectric materials, making it a significant subject for structural analysis in solid-state chemistry.

Its position on the convex hull indicates high stability, which is essential for its potential integration into advanced ceramic or mineral-based technologies. Researchers study this compound to better understand the complex phase relationships within the calcium-phosphorus-oxygen system.

At a glance

Key Properties

Cross-validated computational properties for Ca16O36P8, aggregated across 3 databases.

Band Gap

4.75 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

3
3 databases, 2 space groups
Uses

Applications

Where Ca16O36P8 is used.

Materials science researchSolid-state chemistry studiesCeramic precursor analysis
Reference

Frequently Asked Questions

Common questions about Ca16O36P8, answered from cross-validated data.

What is Ca16O36P8?

Ca16O36P8 is a stable, insulating calcium phosphate compound used primarily in fundamental materials science research.

More questions
What is Ca16O36P8 used for?
Ca16O36P8 is used in materials science research, solid-state chemistry studies, and ceramic precursor analysis.
What is the band gap of Ca16O36P8?
Ca16O36P8 has a DFT-computed band gap of 4.75 eV across 3 reported structures.
Is Ca16O36P8 a metal, semiconductor, or insulator?
With a wide band gap up to 4.75 eV it is an insulator / wide-band-gap material.
Is Ca16O36P8 thermodynamically stable?
Yes — Ca16O36P8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ca16O36P8 are known?
3 structures of Ca16O36P8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ca16O36P8 contain?
Ca16O36P8 contains Ca, O, and P (3 elements).
Where does the data for Ca16O36P8 come from?
Ca16O36P8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable phase, this compound serves as a foundational reference point for understanding the structural diversity of calcium-rich phosphate systems, representing a robust configuration within its chemical class.

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

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