Be4Ca4F4O16P4

Be4Ca4F4O16P4 is a complex, wide-gap insulating compound containing beryllium, calcium, and phosphate that is considered potentially synthesizable.

BeCaFOP
Crystal structure of Be4Ca4F4O16P4
Ground-state structure · Materials Project
Overview

About Be4Ca4F4O16P4

Be4Ca4F4O16P4 is a complex inorganic compound characterized by its insulating electronic nature and wide-gap behavior. Its structural complexity arises from the integration of beryllium, calcium, and phosphate units, which contribute to its distinct chemical identity.

As a material identified as being near the thermodynamic hull, this compound is considered a promising candidate for synthesis. Its stability profile suggests it could play a role in specialized materials science research where insulating properties are required.

At a glance

Key Properties

Cross-validated computational properties for Be4Ca4F4O16P4, aggregated across 3 databases.

Band Gap

6.11 eV
Range across DFT structures

Energy Above Hull

0.006 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

4
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about Be4Ca4F4O16P4, answered from cross-validated data.

What is Be4Ca4F4O16P4?

Be4Ca4F4O16P4 is a complex, wide-gap insulating compound containing beryllium, calcium, and phosphate that is considered potentially synthesizable.

More questions
What is the band gap of Be4Ca4F4O16P4?
Be4Ca4F4O16P4 has a DFT-computed band gap of 6.11 eV across 4 reported structures.
Is Be4Ca4F4O16P4 a metal, semiconductor, or insulator?
With a wide band gap up to 6.11 eV it is an insulator / wide-band-gap material.
Is Be4Ca4F4O16P4 thermodynamically stable?
Be4Ca4F4O16P4 has a lowest energy above hull of 0.006 eV/atom (near hull (likely stable)).
How many polymorphs of Be4Ca4F4O16P4 are known?
4 structures of Be4Ca4F4O16P4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Be4Ca4F4O16P4 contain?
Be4Ca4F4O16P4 contains Be, Ca, F, O, and P (5 elements).
Where does the data for Be4Ca4F4O16P4 come from?
Be4Ca4F4O16P4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique complex phosphate, Be4Ca4F4O16P4 represents an interesting case study in multi-element inorganic synthesis. Without direct structural analogs in its immediate class, it stands as a distinct entry point for exploring the interplay between beryllium-based frameworks and calcium-phosphate matrices.

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

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