Ca4P2O

Ca4P2O is a stable semiconducting inorganic compound containing calcium, phosphorus, and oxygen.

CaOP
Crystal structure of Ca4P2O
Ground-state structure · Materials Project
Overview

About Ca4P2O

Ca4P2O is a distinct inorganic compound composed of calcium, phosphorus, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that is of significant interest for fundamental materials research.

Exhibiting semiconducting electronic character, this material offers potential for specialized electronic or optoelectronic applications. Its existence across multiple structural databases highlights its importance as a well-defined phase within the broader landscape of calcium-based phosphides and oxides.

At a glance

Key Properties

Cross-validated computational properties for Ca4P2O, aggregated across 3 databases.

Band Gap

1.27 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Ca4P2O.

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
Solid State
Procedure available · ceder_solid_state
Reference

Frequently Asked Questions

Common questions about Ca4P2O, answered from cross-validated data.

What is Ca4P2O?

Ca4P2O is a stable semiconducting inorganic compound containing calcium, phosphorus, and oxygen.

More questions
What is the band gap of Ca4P2O?
Ca4P2O has a DFT-computed band gap of 1.27 eV across 5 reported structures.
Is Ca4P2O a metal, semiconductor, or insulator?
With a band gap up to 1.27 eV it is a semiconductor.
Is Ca4P2O thermodynamically stable?
Yes — Ca4P2O sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ca4P2O are known?
5 structures of Ca4P2O are reported across 3 databases, spanning 1 distinct space group.
How is Ca4P2O synthesized?
Literature-reported routes for Ca4P2O include solid state (8 procedures documented).
What elements does Ca4P2O contain?
Ca4P2O contains Ca, O, and P (3 elements).
Where does the data for Ca4P2O come from?
Ca4P2O data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique phase within the calcium-phosphorus-oxygen system, Ca4P2O serves as a stable reference point for understanding the interplay between alkaline earth metals and pnictide-oxide frameworks in the solid state.

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

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