Ca10F2O24P6

Fluorapatite · Fluorapatite

Fluorapatite is a stable, insulating phosphate mineral that serves as a vital source of phosphorus and a key structural component in biological tissues.

CaFOP
Crystal structure of Ca10F2O24P6 (hexagonal, P63/m (No. 176))
Ground-state structure · Materials Project
Overview

About Fluorapatite

Fluorapatite is a naturally occurring phosphate mineral that serves as a fundamental building block in various geological and biological contexts. As a thermodynamically stable compound, it maintains a robust structure that is highly resistant to chemical degradation, making it a critical subject for materials science research.

Characterized by its wide-gap insulating electronic properties, this material is widely recognized for its role in the structural integrity of teeth and bones. Its stability and availability make it a key industrial precursor for the production of phosphoric acid and various phosphorus-based fertilizers.

At a glance

Key Properties

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

Band Gap

5.51 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

19
2 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Ca10F2O24P6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P63/m (No. 176)hexagonal5.510.0000-7.5903.21
P63 (No. 173)hexagonal5.500.0006-7.5903.10
P63/m (No. 176)
P63/m (No. 176)
P63/m (No. 176)
P63/m (No. 176)
P63/m (No. 176)
P63/m (No. 176)
P63/m (No. 176)
P63/m (No. 176)
P63/m (No. 176)
P63/m (No. 176)
Uses

Applications

Where Fluorapatite is used.

Fertilizer productionPhosphoric acid manufacturingBiomedical implantsDental researchGeochronology
Reference

Frequently Asked Questions

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

What is Ca10F2O24P6?

Fluorapatite is a stable, insulating phosphate mineral that serves as a vital source of phosphorus and a key structural component in biological tissues.

More questions
What is Ca10F2O24P6 used for?
Fluorapatite (Ca10F2O24P6) is used in fertilizer production, phosphoric acid manufacturing, biomedical implants, dental research, and geochronology.
What is the band gap of Ca10F2O24P6?
Fluorapatite (Ca10F2O24P6) has a DFT-computed band gap of 5.51 eV across 19 reported structures.
Is Ca10F2O24P6 a metal, semiconductor, or insulator?
With a wide band gap up to 5.51 eV it is an insulator / wide-band-gap material.
Is Ca10F2O24P6 thermodynamically stable?
Yes — Fluorapatite (Ca10F2O24P6) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ca10F2O24P6?
The lowest-energy reported polymorph of Fluorapatite (Ca10F2O24P6) is hexagonal symmetry, space group P63/m (No. 176).
What is the density of Ca10F2O24P6?
The computed density of the ground-state structure of Fluorapatite (Ca10F2O24P6) is 3.21 g/cm³.
How many polymorphs of Ca10F2O24P6 are known?
19 structures of Ca10F2O24P6 are reported across 2 databases, spanning 2 distinct space groups.
What elements does Ca10F2O24P6 contain?
Fluorapatite (Ca10F2O24P6) contains Ca, F, O, and P (4 elements).
Where does the data for Ca10F2O24P6 come from?
Ca10F2O24P6 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a prominent member of the apatite group, this compound stands out due to its exceptional thermodynamic stability and widespread occurrence in the Earth's crust. It serves as the primary mineralogical reference point for the structural and chemical properties of the broader phosphate class, providing a benchmark for understanding how fluoride substitution influences the stability of the crystalline lattice.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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