H8MgO8S
magnesium sulfate octahydrate · epsomite
H8MgO8S is a stable, insulating magnesium sulfate hydrate commonly known as epsomite.
About magnesium sulfate octahydrate
H8MgO8S is a hydrated magnesium sulfate compound that functions as a wide-gap insulator. Its structural configuration places it in a thermodynamically favorable state, suggesting high potential for synthesis and stability in ambient conditions.
This material is significant due to its role as a common sulfate mineral. It is widely utilized in various chemical processes, serving as a foundational component in agricultural fertilizers, industrial drying agents, and therapeutic mineral applications.
Key Properties
Cross-validated computational properties for magnesium sulfate octahydrate, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of H8MgO8S. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for H8MgO8S, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 5.47 | 0.0180 | -5.678 | 2.08 |
| No. 0 | unknown | — | — | — | 0.50 |
| — | — | — | — | — | — |
Applications
Where magnesium sulfate octahydrate is used.
Frequently Asked Questions
Common questions about magnesium sulfate octahydrate, answered from cross-validated data.
What is H8MgO8S?
H8MgO8S is a stable, insulating magnesium sulfate hydrate commonly known as epsomite.
What is H8MgO8S used for?
What is the band gap of H8MgO8S?
Is H8MgO8S a metal, semiconductor, or insulator?
Is H8MgO8S thermodynamically stable?
What is the crystal structure of H8MgO8S?
What is the density of H8MgO8S?
How many polymorphs of H8MgO8S are known?
What elements does H8MgO8S contain?
Where does the data for H8MgO8S come from?
How It Compares
As a hydrated sulfate, this compound represents a standard structural motif for magnesium-based salts. It serves as a primary example of how hydration states influence the thermodynamic stability and physical properties of magnesium-sulfur-oxygen systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- alexandria — Data from alexandria.
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