As4Ca4Cu4H4O20

As4Ca4Cu4H4O20 is a complex, semiconducting arsenate-cuprate compound that is considered a promising candidate for synthesis due to its near-hull thermodynamic stability.

Crystal structure of As4Ca4Cu4H4O20
Ground-state structure · Materials Project
Overview

About As4Ca4Cu4H4O20

As4Ca4Cu4H4O20 is a complex arsenate-cuprate compound featuring a multi-element framework. Its electronic character is identified as semiconducting, distinguishing it from the metallic behavior often associated with high-temperature superconductors in this class. The material exhibits near-hull thermodynamic stability, suggesting it is a viable candidate for experimental synthesis and structural characterization. As a member of the broader cuprate family, it serves as an intriguing subject for investigating how arsenic and hydrogen integration modifies the traditional copper-oxygen plane structures. Its existence in multiple reported structural configurations highlights its potential for structural diversity within oxide chemistry.

At a glance

Key Properties

Cross-validated computational properties for As4Ca4Cu4H4O20, aggregated across 3 databases.

Band Gap

0.29 eV
Range across DFT structures

Energy Above Hull

0.015 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

3
3 databases, 2 space groups
Uses

Applications

Where As4Ca4Cu4H4O20 is used.

Materials science researchSolid-state chemistry studiesComplex oxide structural analysis
Reference

Frequently Asked Questions

Common questions about As4Ca4Cu4H4O20, answered from cross-validated data.

What is As4Ca4Cu4H4O20?

As4Ca4Cu4H4O20 is a complex, semiconducting arsenate-cuprate compound that is considered a promising candidate for synthesis due to its near-hull thermodynamic stability.

More questions
What is As4Ca4Cu4H4O20 used for?
As4Ca4Cu4H4O20 is used in materials science research, solid-state chemistry studies, and complex oxide structural analysis.
What is the band gap of As4Ca4Cu4H4O20?
As4Ca4Cu4H4O20 has a DFT-computed band gap of 0.29 eV across 3 reported structures.
Is As4Ca4Cu4H4O20 a metal, semiconductor, or insulator?
With a band gap up to 0.29 eV it is a semiconductor.
Is As4Ca4Cu4H4O20 thermodynamically stable?
As4Ca4Cu4H4O20 has a lowest energy above hull of 0.015 eV/atom (near hull (likely stable)).
How many polymorphs of As4Ca4Cu4H4O20 are known?
3 structures of As4Ca4Cu4H4O20 are reported across 3 databases, spanning 2 distinct space groups.
What elements does As4Ca4Cu4H4O20 contain?
As4Ca4Cu4H4O20 contains As, Ca, Cu, H, and O (5 elements).
Where does the data for As4Ca4Cu4H4O20 come from?
As4Ca4Cu4H4O20 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the cuprate superconductors class.

Unlike the well-known high-temperature superconducting cuprates such as La2CuO4 or CaCuO2, which are characterized by distinct copper-oxygen sheets, As4Ca4Cu4H4O20 incorporates arsenic and hydrogen into its lattice. This structural modification shifts its electronic properties away from the metallic behavior seen in typical superconducting cuprates, placing it in a unique position as a semiconducting variant within the broader family of copper-based oxides.

Explore

Related Compounds

Other Cuprate Superconductors in the database.

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

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