Al2Si2PbO8

Al2Si2PbO8 is a thermodynamically stable lead-containing aluminosilicate framework that functions as an electrical insulator.

Crystal structure of Al2Si2PbO8 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About Al2Si2PbO8

Al2Si2PbO8 belongs to the complex family of aluminosilicates, characterized by a robust framework structure that incorporates lead into its lattice. As a thermodynamically stable phase, it maintains structural integrity under standard conditions, positioning it as a significant compound for understanding heavy-metal incorporation within mineral frameworks.

This material exhibits a wide-band-gap electronic character typical of insulating silicate structures. Its structural versatility is highlighted by multiple reported configurations, making it a valuable subject for researchers investigating the influence of large cations on the stability and properties of aluminosilicate networks.

At a glance

Key Properties

Cross-validated computational properties for Al2Si2PbO8, aggregated across 3 databases.

Band Gap

4.25–4.30 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

6
3 databases, 5 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Al2Si2PbO8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic4.260.0000-7.8474.00
C2/c (No. 15)monoclinic4.300.0008-7.8464.03
P21/c (No. 14)monoclinic4.250.0014-7.8454.00
P-1 (No. 2)triclinic4.300.0066-7.8404.00
No. 0unknown0.52
C2/m (No. 12)
Uses

Applications

Where Al2Si2PbO8 is used.

Geochemical researchMaterials science structural modelingMineralogical studies
Reference

Frequently Asked Questions

Common questions about Al2Si2PbO8, answered from cross-validated data.

What is Al2Si2PbO8?

Al2Si2PbO8 is a thermodynamically stable lead-containing aluminosilicate framework that functions as an electrical insulator.

More questions
What is Al2Si2PbO8 used for?
Al2Si2PbO8 is used in geochemical research, materials science structural modeling, and mineralogical studies.
What is the band gap of Al2Si2PbO8?
Al2Si2PbO8 has a DFT-computed band gap of 4.25–4.30 eV across 6 reported structures.
Is Al2Si2PbO8 a metal, semiconductor, or insulator?
With a wide band gap up to 4.30 eV it is an insulator / wide-band-gap material.
Is Al2Si2PbO8 thermodynamically stable?
Yes — Al2Si2PbO8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al2Si2PbO8?
The lowest-energy reported polymorph of Al2Si2PbO8 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Al2Si2PbO8?
The computed density of the ground-state structure of Al2Si2PbO8 is 4.00 g/cm³.
How many polymorphs of Al2Si2PbO8 are known?
6 structures of Al2Si2PbO8 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Al2Si2PbO8 contain?
Al2Si2PbO8 contains Al, O, Pb, and Si (4 elements).
Where does the data for Al2Si2PbO8 come from?
Al2Si2PbO8 data is cross-referenced from materials_project, cod, jarvis.
Comparison

How It Compares

Within the aluminosilicates and zeolite frameworks class.

Within the diverse class of aluminosilicates, Al2Si2PbO8 stands out for its inclusion of lead compared to lighter alkali or alkaline-earth counterparts like NaAlSi3O8 or Ca2Al2SiO7. While many members of this group are fundamental rock-forming minerals, this lead-bearing variant offers a distinct structural profile that contrasts with the more common framework architectures found in materials like KAlSiO4 or LiAlSiO4.

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Related Compounds

Other Aluminosilicates and Zeolite Frameworks in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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