Li2H2SeO5

Li2H2SeO5 is a stable, wide-gap insulating compound composed of lithium, hydrogen, selenium, and oxygen.

HLiOSe
Crystal structure of Li2H2SeO5
Ground-state structure · Materials Project
Overview

About Li2H2SeO5

Li2H2SeO5 is a complex hydrogen-containing lithium selenate that functions as a wide-gap insulating material. Its unique atomic arrangement and electronic properties position it as an intriguing candidate for specialized solid-state applications where dielectric or insulating behavior is required.

As a near-hull compound, it is considered thermodynamically stable enough to be a viable target for experimental synthesis. The material is characterized by a significant degree of structural variety, supported by multiple reported configurations that highlight its flexible coordination environment.

At a glance

Key Properties

Cross-validated computational properties for Li2H2SeO5, aggregated across 4 databases.

Band Gap

4.04 eV
Range across DFT structures

Energy Above Hull

0.009 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

15
4 databases, 2 space groups
Uses

Applications

Where Li2H2SeO5 is used.

Solid-state dielectric researchFundamental materials scienceAdvanced inorganic synthesis
Reference

Frequently Asked Questions

Common questions about Li2H2SeO5, answered from cross-validated data.

What is Li2H2SeO5?

Li2H2SeO5 is a stable, wide-gap insulating compound composed of lithium, hydrogen, selenium, and oxygen.

More questions
What is Li2H2SeO5 used for?
Li2H2SeO5 is used in solid-state dielectric research, fundamental materials science, and advanced inorganic synthesis.
What is the band gap of Li2H2SeO5?
Li2H2SeO5 has a DFT-computed band gap of 4.04 eV across 15 reported structures.
Is Li2H2SeO5 a metal, semiconductor, or insulator?
With a wide band gap up to 4.04 eV it is an insulator / wide-band-gap material.
Is Li2H2SeO5 thermodynamically stable?
Li2H2SeO5 has a lowest energy above hull of 0.009 eV/atom (near hull (likely stable)).
How many polymorphs of Li2H2SeO5 are known?
15 structures of Li2H2SeO5 are reported across 4 databases, spanning 2 distinct space groups.
What elements does Li2H2SeO5 contain?
Li2H2SeO5 contains H, Li, O, and Se (4 elements).
Where does the data for Li2H2SeO5 come from?
Li2H2SeO5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized inorganic compound, Li2H2SeO5 represents a distinct structural niche within the broader family of lithium-based oxyanion materials. While it lacks direct structural siblings in this context, its status as a near-hull phase suggests it occupies a favorable energy landscape compared to more metastable complex oxides, making it a noteworthy subject for further exploration in materials discovery.

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

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