Mg3Si2H4O9
Chrysotile · white asbestos
Mg3Si2H4O9 is a stable, insulating magnesium silicate mineral often recognized for its fibrous crystalline structure.
About Chrysotile
Mg3Si2H4O9 is a naturally occurring hydrated magnesium silicate that exhibits a distinct wide-band-gap insulating electronic profile. As a thermodynamically stable phase on the convex hull, it maintains structural integrity under a variety of geochemical conditions, making it a significant subject of study in mineralogy and materials science.
Its unique structural arrangement allows for the formation of characteristic fibrous habits, which have historically defined its utility in various high-performance applications. Because of its stability and insulating nature, it remains a critical reference point for understanding the behavior of complex magnesium-based silicates in the Earth's crust.
Key Properties
Cross-validated computational properties for Chrysotile, 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 Mg3Si2H4O9. 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 Mg3Si2H4O9, 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. |
|---|---|---|---|---|---|
| — | — | 4.47 | 0.0000 | -2.464 | — |
| P63cm (No. 185) | hexagonal | 4.41 | 0.0000 | -2.379 | — |
| P63cm (No. 185) | hexagonal | 4.25 | 0.0000 | -6.689 | 2.49 |
| P31m (No. 157) | trigonal | 4.41 | 0.0002 | -2.379 | — |
| P31m (No. 157) | trigonal | 4.24 | 0.0003 | -6.689 | 2.50 |
| — | — | 4.47 | 0.0012 | -2.463 | — |
| P63cm (No. 185) | hexagonal | — | — | — | 2.54 |
| P31m (No. 157) | trigonal | — | — | — | 2.61 |
| Cm (No. 8) | monoclinic | — | — | — | 2.60 |
| Cc (No. 9) | monoclinic | — | — | — | 2.58 |
| Cc (No. 9) | monoclinic | — | — | — | 2.54 |
| P63cm (No. 185) | hexagonal | — | — | — | 2.58 |
Applications
Where Chrysotile is used.
Frequently Asked Questions
Common questions about Chrysotile, answered from cross-validated data.
What is Mg3Si2H4O9?
Mg3Si2H4O9 is a stable, insulating magnesium silicate mineral often recognized for its fibrous crystalline structure.
What is Mg3Si2H4O9 used for?
What is the band gap of Mg3Si2H4O9?
Is Mg3Si2H4O9 a metal, semiconductor, or insulator?
Is Mg3Si2H4O9 thermodynamically stable?
What is the crystal structure of Mg3Si2H4O9?
How many polymorphs of Mg3Si2H4O9 are known?
What elements does Mg3Si2H4O9 contain?
Where does the data for Mg3Si2H4O9 come from?
How It Compares
As a prominent member of the serpentine group, this compound serves as a foundational example of stable, hydrated silicate chemistry, providing essential insights into the structural evolution of magnesium-rich minerals in the absence of other complex silicates.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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