I2Li2Mo2O12

I2Li2Mo2O12 is a thermodynamically stable, semiconducting inorganic compound containing iodine, lithium, molybdenum, and oxygen.

ILiMoO
Crystal structure of I2Li2Mo2O12
Ground-state structure · Materials Project
Overview

About I2Li2Mo2O12

I2Li2Mo2O12 is a complex inorganic compound composed of iodine, lithium, molybdenum, and oxygen. As a thermodynamically stable material situated on the convex hull, it represents a robust phase of interest for solid-state chemistry and materials science research.

Characterized as a semiconductor, this material offers intriguing electronic properties that distinguish it from simple oxides. Its existence across multiple reported structures suggests a versatile structural framework, making it a subject of ongoing investigation for its potential functional applications.

At a glance

Key Properties

Cross-validated computational properties for I2Li2Mo2O12, aggregated across 3 databases.

Band Gap

2.23 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
Reference

Frequently Asked Questions

Common questions about I2Li2Mo2O12, answered from cross-validated data.

What is I2Li2Mo2O12?

I2Li2Mo2O12 is a thermodynamically stable, semiconducting inorganic compound containing iodine, lithium, molybdenum, and oxygen.

More questions
What is the band gap of I2Li2Mo2O12?
I2Li2Mo2O12 has a DFT-computed band gap of 2.23 eV across 3 reported structures.
Is I2Li2Mo2O12 a metal, semiconductor, or insulator?
With a band gap up to 2.23 eV it is a semiconductor.
Is I2Li2Mo2O12 thermodynamically stable?
Yes — I2Li2Mo2O12 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of I2Li2Mo2O12 are known?
3 structures of I2Li2Mo2O12 are reported across 3 databases, spanning 1 distinct space group.
What elements does I2Li2Mo2O12 contain?
I2Li2Mo2O12 contains I, Li, Mo, and O (4 elements).
Where does the data for I2Li2Mo2O12 come from?
I2Li2Mo2O12 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic phase, I2Li2Mo2O12 stands out for its thermodynamic stability and specific elemental combination. While it represents a specialized composition within the broader landscape of molybdenum-based oxides, its semiconducting nature positions it as a distinct candidate for exploring electronic behavior in complex multi-component systems.

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

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