LiH2IO

LiH2IO is a thermodynamically stable, insulating inorganic compound with a diverse range of reported structural configurations.

HILiO
Crystal structure of LiH2IO
Ground-state structure · Materials Project
Overview

About LiH2IO

LiH2IO is a distinct inorganic compound characterized by its wide-band-gap insulating electronic profile. As a material that resides on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for fundamental studies in solid-state chemistry.

Given its structural diversity, with multiple reported configurations across major databases, this compound serves as an interesting subject for researchers investigating complex ionic arrangements. Its insulating nature suggests potential utility in specialized dielectric applications or as a precursor in chemical synthesis.

At a glance

Key Properties

Cross-validated computational properties for LiH2IO, aggregated across 3 databases.

Band Gap

3.68–4.04 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

7
3 databases, 2 space groups
Uses

Applications

Where LiH2IO is used.

Solid-state researchDielectric materials developmentChemical synthesis precursor
Reference

Frequently Asked Questions

Common questions about LiH2IO, answered from cross-validated data.

What is LiH2IO?

LiH2IO is a thermodynamically stable, insulating inorganic compound with a diverse range of reported structural configurations.

More questions
What is LiH2IO used for?
LiH2IO is used in solid-state research, dielectric materials development, and chemical synthesis precursor.
What is the band gap of LiH2IO?
LiH2IO has a DFT-computed band gap of 3.68–4.04 eV across 7 reported structures.
Is LiH2IO a metal, semiconductor, or insulator?
With a wide band gap up to 4.04 eV it is an insulator / wide-band-gap material.
Is LiH2IO thermodynamically stable?
Yes — LiH2IO sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of LiH2IO are known?
7 structures of LiH2IO are reported across 3 databases, spanning 2 distinct space groups.
What elements does LiH2IO contain?
LiH2IO contains H, I, Li, and O (4 elements).
Where does the data for LiH2IO come from?
LiH2IO data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic system, LiH2IO stands as a distinct entry in the landscape of lithium-based compounds. While it does not share a direct structural family with other common lithium halides or oxides, its stability and insulating character position it as a specialized material for targeted electronic and structural investigations.

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

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