MgH12SeO9

MgH12SeO9 is a stable, wide-band-gap insulating compound composed of magnesium, hydrogen, selenium, and oxygen.

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Crystal structure of MgH12SeO9
Ground-state structure · Materials Project
Overview

About MgH12SeO9

MgH12SeO9 is a complex inorganic compound characterized by its wide-band-gap insulating nature. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of magnesium, hydrogen, selenium, and oxygen atoms.

Its structural integrity is supported by multiple reported configurations across various databases, highlighting its significance in fundamental materials research. This compound serves as a critical subject for understanding the interplay between its constituent elements in stable, non-conductive crystalline environments.

At a glance

Key Properties

Cross-validated computational properties for MgH12SeO9, aggregated across 3 databases.

Band Gap

3.36–5.07 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about MgH12SeO9, answered from cross-validated data.

What is MgH12SeO9?

MgH12SeO9 is a stable, wide-band-gap insulating compound composed of magnesium, hydrogen, selenium, and oxygen.

More questions
What is the band gap of MgH12SeO9?
MgH12SeO9 has a DFT-computed band gap of 3.36–5.07 eV across 6 reported structures.
Is MgH12SeO9 a metal, semiconductor, or insulator?
With a wide band gap up to 5.07 eV it is an insulator / wide-band-gap material.
Is MgH12SeO9 thermodynamically stable?
Yes — MgH12SeO9 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of MgH12SeO9 are known?
6 structures of MgH12SeO9 are reported across 3 databases, spanning 2 distinct space groups.
What elements does MgH12SeO9 contain?
MgH12SeO9 contains H, Mg, O, and Se (4 elements).
Where does the data for MgH12SeO9 come from?
MgH12SeO9 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic phase, MgH12SeO9 stands as a distinct, thermodynamically stable entity within its chemical family, offering a specialized structural arrangement that differentiates it from less stable or more conductive counterparts.

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

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