As2Cu2O8Pb2

As2Cu2O8Pb2 is a thermodynamically stable, semiconducting inorganic compound containing arsenic, copper, oxygen, and lead.

AsCuOPb
Crystal structure of As2Cu2O8Pb2 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

About As2Cu2O8Pb2

As2Cu2O8Pb2 is a complex inorganic compound composed of arsenic, copper, oxygen, and lead. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions.

This material exhibits semiconducting electronic character, making it a subject of interest for researchers investigating electronic and optical properties in multi-element oxide systems. Its existence across multiple reported structures highlights its significance in the study of complex mineral-like inorganic phases.

At a glance

Key Properties

Cross-validated computational properties for As2Cu2O8Pb2, aggregated across 3 databases.

Band Gap

1.82 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for As2Cu2O8Pb2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-1 (No. 2)triclinic1.820.0000-6.1136.04
P-1 (No. 2)
6.21
Uses

Applications

Where As2Cu2O8Pb2 is used.

Materials science researchSolid-state chemistry studiesSemiconductor development
Reference

Frequently Asked Questions

Common questions about As2Cu2O8Pb2, answered from cross-validated data.

What is As2Cu2O8Pb2?

As2Cu2O8Pb2 is a thermodynamically stable, semiconducting inorganic compound containing arsenic, copper, oxygen, and lead.

More questions
What is As2Cu2O8Pb2 used for?
As2Cu2O8Pb2 is used in materials science research, solid-state chemistry studies, and semiconductor development.
What is the band gap of As2Cu2O8Pb2?
As2Cu2O8Pb2 has a DFT-computed band gap of 1.82 eV across 3 reported structures.
Is As2Cu2O8Pb2 a metal, semiconductor, or insulator?
With a band gap up to 1.82 eV it is a semiconductor.
Is As2Cu2O8Pb2 thermodynamically stable?
Yes — As2Cu2O8Pb2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of As2Cu2O8Pb2?
The lowest-energy reported polymorph of As2Cu2O8Pb2 is triclinic symmetry, space group P-1 (No. 2).
What is the density of As2Cu2O8Pb2?
The computed density of the ground-state structure of As2Cu2O8Pb2 is 6.04 g/cm³.
How many polymorphs of As2Cu2O8Pb2 are known?
3 structures of As2Cu2O8Pb2 are reported across 3 databases, spanning 1 distinct space group.
What elements does As2Cu2O8Pb2 contain?
As2Cu2O8Pb2 contains As, Cu, O, and Pb (4 elements).
Where does the data for As2Cu2O8Pb2 come from?
As2Cu2O8Pb2 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a unique inorganic compound, As2Cu2O8Pb2 serves as a distinct example of how heavy metals and metalloids integrate into stable oxide frameworks. While it does not share its specific structural class with other common compounds, its stability profile provides a foundational reference point for understanding the synthesis and behavior of complex lead-copper-arsenate systems.

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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