Mg3Si2H4O9

Chrysotile · white asbestos

Mg3Si2H4O9 is a stable, insulating magnesium silicate mineral often recognized for its fibrous crystalline structure.

HMgOSi
Crystal structure of Mg3Si2H4O9 (hexagonal, P63cm (No. 185))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

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

Band Gap

4.25 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

7
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Mg3Si2H4O9, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P63cm (No. 185)hexagonal4.250.0000-6.6892.49
P31m (No. 157)trigonal4.240.0003-6.6892.50
P63cm (No. 185)
P31m (No. 157)
P31m (No. 157)Trigonal2.61
P31m (No. 157)Trigonal2.50
P31m (No. 157)Trigonal2.54
Uses

Applications

Where Chrysotile is used.

thermal insulationfireproofing materialsfriction materialsindustrial gaskets
Reference

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.

More questions
What is Mg3Si2H4O9 used for?
Chrysotile (Mg3Si2H4O9) is used in thermal insulation, fireproofing materials, friction materials, and industrial gaskets.
What is the band gap of Mg3Si2H4O9?
Chrysotile (Mg3Si2H4O9) has a DFT-computed band gap of 4.25 eV across 7 reported structures.
Is Mg3Si2H4O9 a metal, semiconductor, or insulator?
With a wide band gap up to 4.25 eV it is an insulator / wide-band-gap material.
Is Mg3Si2H4O9 thermodynamically stable?
Yes — Chrysotile (Mg3Si2H4O9) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Mg3Si2H4O9?
The lowest-energy reported polymorph of Chrysotile (Mg3Si2H4O9) is hexagonal symmetry, space group P63cm (No. 185).
What is the density of Mg3Si2H4O9?
The computed density of the ground-state structure of Chrysotile (Mg3Si2H4O9) is 2.49 g/cm³.
How many polymorphs of Mg3Si2H4O9 are known?
7 structures of Mg3Si2H4O9 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Mg3Si2H4O9 contain?
Chrysotile (Mg3Si2H4O9) contains H, Mg, O, and Si (4 elements).
Where does the data for Mg3Si2H4O9 come from?
Mg3Si2H4O9 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

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
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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