Cu8Ho8O20

Cu8Ho8O20 is a metastable, semiconducting spinel oxide containing copper and holmium that is primarily studied for its potential catalytic utility.

Crystal structure of Cu8Ho8O20 (orthorhombic, Pna21 (No. 33))
Ground-state structure · Materials Project
Overview

About Cu8Ho8O20

Cu8Ho8O20 is a complex spinel oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a specialized configuration within the broader family of transition metal and rare-earth oxide catalysts, offering distinct coordination environments for surface-active processes. Its structural complexity makes it a subject of interest for researchers investigating non-equilibrium material phases.

This compound functions as a specialized catalytic material where its electronic properties are leveraged for chemical transformations. By incorporating both copper and holmium, it provides a unique metallic landscape that differs from simpler binary oxides, making it a valuable addition to the study of high-order spinel-related architectures.

At a glance

Key Properties

Cross-validated computational properties for Cu8Ho8O20, aggregated across 3 databases.

Band Gap

0.14 eV
Range across DFT structures

Energy Above Hull

0.046 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

3
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Cu8Ho8O20, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pna21 (No. 33)orthorhombic0.140.0457-7.2927.46
Pna21 (No. 33)
7.46
Uses

Applications

Where Cu8Ho8O20 is used.

Catalysis researchMaterials science explorationAdvanced chemical synthesis
Reference

Frequently Asked Questions

Common questions about Cu8Ho8O20, answered from cross-validated data.

What is Cu8Ho8O20?

Cu8Ho8O20 is a metastable, semiconducting spinel oxide containing copper and holmium that is primarily studied for its potential catalytic utility.

More questions
What is Cu8Ho8O20 used for?
Cu8Ho8O20 is used in catalysis research, materials science exploration, and advanced chemical synthesis.
What is the band gap of Cu8Ho8O20?
Cu8Ho8O20 has a DFT-computed band gap of 0.14 eV across 3 reported structures.
Is Cu8Ho8O20 a metal, semiconductor, or insulator?
With a band gap up to 0.14 eV it is a semiconductor.
Is Cu8Ho8O20 thermodynamically stable?
Cu8Ho8O20 has a lowest energy above hull of 0.046 eV/atom (metastable).
What is the crystal structure of Cu8Ho8O20?
The lowest-energy reported polymorph of Cu8Ho8O20 is orthorhombic symmetry, space group Pna21 (No. 33).
What is the density of Cu8Ho8O20?
The computed density of the ground-state structure of Cu8Ho8O20 is 7.46 g/cm³.
How many polymorphs of Cu8Ho8O20 are known?
3 structures of Cu8Ho8O20 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cu8Ho8O20 contain?
Cu8Ho8O20 contains Cu, Ho, and O (3 elements).
Where does the data for Cu8Ho8O20 come from?
Cu8Ho8O20 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Unlike simple binary oxides such as CuO, NiO, or ZnO, which are widely utilized for their robust and well-understood catalytic properties, Cu8Ho8O20 represents a more intricate, metastable structural arrangement. While materials like MgAl2O4 serve as standard structural templates for spinels, this copper-holmium variant offers a more specialized electronic profile compared to the perovskite-structured oxides like LaMnO3 or LaAlO3, positioning it as a niche candidate for targeted catalytic applications.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

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).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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