Mg3H4O5
Mg3H4O5 is a wide-gap insulating magnesium oxide compound identified as a likely synthesizable material.
About Mg3H4O5
Mg3H4O5 is a hydrogen-bearing magnesium oxide that functions as a wide-gap insulator. Its electronic structure is characterized by a significant energy gap, typical of stable insulating oxides that do not readily conduct electricity under standard conditions.
The compound is considered thermodynamically near-hull, suggesting it is a viable candidate for synthesis in laboratory environments. It represents a specific stoichiometry within the magnesium-hydrogen-oxygen system, offering researchers a distinct structural configuration for exploring high-pressure or specialized chemical synthesis.
Key Properties
Cross-validated computational properties for Mg3H4O5, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Applications
Where Mg3H4O5 is used.
Frequently Asked Questions
Common questions about Mg3H4O5, answered from cross-validated data.
What is Mg3H4O5?
Mg3H4O5 is a wide-gap insulating magnesium oxide compound identified as a likely synthesizable material.
What is Mg3H4O5 used for?
What is the band gap of Mg3H4O5?
Is Mg3H4O5 a metal, semiconductor, or insulator?
Is Mg3H4O5 thermodynamically stable?
How many polymorphs of Mg3H4O5 are known?
What elements does Mg3H4O5 contain?
Where does the data for Mg3H4O5 come from?
How It Compares
As a unique stoichiometry within the magnesium-hydrogen-oxygen system, Mg3H4O5 serves as a critical reference point for understanding the stability of hydrated magnesium oxides. It occupies a distinct space in the chemical landscape, providing a foundational example of how hydrogen can be incorporated into magnesium oxide frameworks to create stable, insulating phases.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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