H48Mg4O36S8
H48Mg4O36S8 is a metastable, insulating hydrated magnesium sulfate compound primarily studied for its structural properties.
About H48Mg4O36S8
H48Mg4O36S8 is a complex, hydrogen-bearing magnesium sulfate derivative characterized by its wide-band-gap insulating electronic profile. As a metastable phase, it represents a specific structural arrangement within the broader family of hydrated magnesium sulfates, requiring precise conditions for synthesis and characterization.
Its significance lies in its role as a model system for understanding hydration dynamics and structural stability in inorganic salts. The material is primarily studied for its fundamental crystallographic properties, contributing to the broader knowledge of how hydrogen and oxygen networks influence the stability of magnesium-based minerals.
Key Properties
Cross-validated computational properties for H48Mg4O36S8, 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.
Reported Structures
Lowest-energy structures reported for H48Mg4O36S8, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 4.56 | 0.0271 | -5.393 | 1.81 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 1.32 |
Applications
Where H48Mg4O36S8 is used.
Frequently Asked Questions
Common questions about H48Mg4O36S8, answered from cross-validated data.
What is H48Mg4O36S8?
H48Mg4O36S8 is a metastable, insulating hydrated magnesium sulfate compound primarily studied for its structural properties.
What is H48Mg4O36S8 used for?
What is the band gap of H48Mg4O36S8?
Is H48Mg4O36S8 a metal, semiconductor, or insulator?
Is H48Mg4O36S8 thermodynamically stable?
What is the crystal structure of H48Mg4O36S8?
What is the density of H48Mg4O36S8?
How many polymorphs of H48Mg4O36S8 are known?
What elements does H48Mg4O36S8 contain?
Where does the data for H48Mg4O36S8 come from?
How It Compares
As a unique, metastable phase within the landscape of hydrated magnesium sulfates, this compound serves as a specialized structural reference point. Unlike more common, highly stable sulfate minerals, its metastable nature highlights the complex energy landscape of these hydrated systems, providing researchers with insights into the structural diversity possible within this chemical space.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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