I10In2Pb4

I10In2Pb4 is a metastable semiconducting compound composed of iodine, indium, and lead.

IInPb
Crystal structure of I10In2Pb4 (tetragonal, I4/mcm (No. 140))
Ground-state structure · Materials Project
Overview

About I10In2Pb4

I10In2Pb4 is a complex inorganic compound characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique configuration of iodine, indium, and lead atoms that requires specific synthesis conditions to stabilize within a crystalline framework.

Its existence is supported by multiple reported structures across various databases, highlighting its significance in exploratory materials science. Researchers study this compound to better understand the interplay between heavy metal cations and halide anions in forming non-traditional semiconductor architectures.

At a glance

Key Properties

Cross-validated computational properties for I10In2Pb4, aggregated across 3 databases.

Band Gap

1.86 eV
Range across DFT structures

Energy Above Hull

0.057 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

10
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for I10In2Pb4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
I4/mcm (No. 140)tetragonal1.860.0570-3.0236.11
I4/mcm (No. 140)
I4/mcm (No. 140)
I4/mcm (No. 140)
I4/mcm (No. 140)
I4/mcm (No. 140)
I4/mcm (No. 140)
I4/mcm (No. 140)
I4/mcm (No. 140)
4.52
Uses

Applications

Where I10In2Pb4 is used.

Materials science researchSemiconductor physics studiesStructural chemistry exploration
Reference

Frequently Asked Questions

Common questions about I10In2Pb4, answered from cross-validated data.

What is I10In2Pb4?

I10In2Pb4 is a metastable semiconducting compound composed of iodine, indium, and lead.

More questions
What is I10In2Pb4 used for?
I10In2Pb4 is used in materials science research, semiconductor physics studies, and structural chemistry exploration.
What is the band gap of I10In2Pb4?
I10In2Pb4 has a DFT-computed band gap of 1.86 eV across 10 reported structures.
Is I10In2Pb4 a metal, semiconductor, or insulator?
With a band gap up to 1.86 eV it is a semiconductor.
Is I10In2Pb4 thermodynamically stable?
I10In2Pb4 has a lowest energy above hull of 0.057 eV/atom (metastable).
What is the crystal structure of I10In2Pb4?
The lowest-energy reported polymorph of I10In2Pb4 is tetragonal symmetry, space group I4/mcm (No. 140).
What is the density of I10In2Pb4?
The computed density of the ground-state structure of I10In2Pb4 is 6.11 g/cm³.
How many polymorphs of I10In2Pb4 are known?
10 structures of I10In2Pb4 are reported across 3 databases, spanning 1 distinct space group.
What elements does I10In2Pb4 contain?
I10In2Pb4 contains I, In, and Pb (3 elements).
Where does the data for I10In2Pb4 come from?
I10In2Pb4 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a standalone entry in this specific chemical space, I10In2Pb4 serves as a benchmark for understanding the structural diversity of metal-halide systems. Its metastability suggests that it occupies a delicate energetic position, distinguishing it from more common, highly stable halide semiconductors.

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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