Ca4Fe4H2O30Si10

Ca4Fe4H2O30Si10 is a complex, semiconducting silicate compound that is theoretically predicted to be stable enough for potential synthesis.

CaFeHOSi
Crystal structure of Ca4Fe4H2O30Si10
Ground-state structure · Materials Project
Overview

About Ca4Fe4H2O30Si10

Ca4Fe4H2O30Si10 is a complex silicate-based material characterized by its semiconducting electronic nature. Its structural composition suggests a stable framework that positions it as a promising candidate for experimental synthesis and characterization within the broader landscape of inorganic materials science. The compound is considered to be near-hull, indicating that it is energetically favorable enough to potentially exist in a stable phase. As a multi-element system involving calcium, iron, and silicon, it represents a unique structural architecture that may offer interesting properties for future technological integration.

At a glance

Key Properties

Cross-validated computational properties for Ca4Fe4H2O30Si10, aggregated across 3 databases.

Band Gap

1.88 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
Uses

Applications

Where Ca4Fe4H2O30Si10 is used.

Materials science researchSemiconductor developmentStructural mineralogy studies
Reference

Frequently Asked Questions

Common questions about Ca4Fe4H2O30Si10, answered from cross-validated data.

What is Ca4Fe4H2O30Si10?

Ca4Fe4H2O30Si10 is a complex, semiconducting silicate compound that is theoretically predicted to be stable enough for potential synthesis.

More questions
What is Ca4Fe4H2O30Si10 used for?
Ca4Fe4H2O30Si10 is used in materials science research, semiconductor development, and structural mineralogy studies.
What is the band gap of Ca4Fe4H2O30Si10?
Ca4Fe4H2O30Si10 has a DFT-computed band gap of 1.88 eV across 4 reported structures.
Is Ca4Fe4H2O30Si10 a metal, semiconductor, or insulator?
With a band gap up to 1.88 eV it is a semiconductor.
Is Ca4Fe4H2O30Si10 thermodynamically stable?
Ca4Fe4H2O30Si10 has a lowest energy above hull of 0.006 eV/atom (near hull (likely stable)).
How many polymorphs of Ca4Fe4H2O30Si10 are known?
4 structures of Ca4Fe4H2O30Si10 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ca4Fe4H2O30Si10 contain?
Ca4Fe4H2O30Si10 contains Ca, Fe, H, O, and Si (5 elements).
Where does the data for Ca4Fe4H2O30Si10 come from?
Ca4Fe4H2O30Si10 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique silicate structure, this compound occupies a distinct niche in materials research, serving as a primary subject for investigation rather than a derivative of a well-known series. Its specific stoichiometry and semiconducting behavior distinguish it from more common, highly insulating silicate minerals, marking it as a specialized candidate for further structural analysis.

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

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