C16H16Li16O32

C16H16Li16O32 is a metastable, insulating lithium-based compound currently studied for its unique structural properties in materials science research.

CHLiO
Crystal structure of C16H16Li16O32
Ground-state structure · Materials Project
Overview

About C16H16Li16O32

C16H16Li16O32 is a complex organic-inorganic hybrid material characterized by its wide-band-gap insulating electronic profile. Its structural arrangement is defined by a specific configuration of carbon, hydrogen, lithium, and oxygen atoms that results in a distinct insulating behavior.

Due to its position above the thermodynamic hull, this compound is considered metastable, making it a subject of interest for researchers studying synthetic pathways and structural stability. Its presence across multiple databases highlights its role as a specialized candidate in exploratory materials science.

At a glance

Key Properties

Cross-validated computational properties for C16H16Li16O32, aggregated across 4 databases.

Band Gap

2.94–5.05 eV
Range across DFT structures

Energy Above Hull

0.105 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

6
4 databases, 3 space groups
Reference

Frequently Asked Questions

Common questions about C16H16Li16O32, answered from cross-validated data.

What is C16H16Li16O32?

C16H16Li16O32 is a metastable, insulating lithium-based compound currently studied for its unique structural properties in materials science research.

More questions
What is the band gap of C16H16Li16O32?
C16H16Li16O32 has a DFT-computed band gap of 2.94–5.05 eV across 6 reported structures.
Is C16H16Li16O32 a metal, semiconductor, or insulator?
With a wide band gap up to 5.05 eV it is an insulator / wide-band-gap material.
Is C16H16Li16O32 thermodynamically stable?
C16H16Li16O32 has a lowest energy above hull of 0.105 eV/atom (above hull).
How many polymorphs of C16H16Li16O32 are known?
6 structures of C16H16Li16O32 are reported across 4 databases, spanning 3 distinct space groups.
What elements does C16H16Li16O32 contain?
C16H16Li16O32 contains C, H, Li, and O (4 elements).
Where does the data for C16H16Li16O32 come from?
C16H16Li16O32 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique entry in current materials databases, C16H16Li16O32 serves as an isolated case study for understanding the stability limits of complex lithium-based organic frameworks in the absence of more common structural analogs.

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

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