MgSi2O5

This compound is a magnesium silicate mineral phase that forms under high-pressure conditions. It is primarily studied by geoscientists to understand the mineralogical composition and physical properties of the Earth's deep mantle.

MgOSi
Crystal structure of MgSi2O5 (orthorhombic, Pbam (No. 55))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for MgSi2O5, aggregated across 3 databases.

Band Gap

5.31 eV
Range across DFT structures

Energy Above Hull

0.170 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for MgSi2O5, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pbam (No. 55)orthorhombic5.310.1698-7.7303.70
Pbam (No. 55)
Pbam (No. 55)Orthorhombic3.93
Pbam (No. 55)Orthorhombic3.70
Pbam (No. 55)Orthorhombic3.80
Uses

Applications

Where MgSi2O5 is used.

Geophysical researchHigh-pressure mineral physics studiesPlanetary science modeling
Reference

Frequently Asked Questions

Common questions about MgSi2O5, answered from cross-validated data.

What is MgSi2O5?

This compound is a magnesium silicate mineral phase that forms under high-pressure conditions. It is primarily studied by geoscientists to understand the mineralogical composition and physical properties of the Earth's deep mantle.

More questions
What is MgSi2O5 used for?
MgSi2O5 is used in geophysical research, high-pressure mineral physics studies, and planetary science modeling.
What is the band gap of MgSi2O5?
MgSi2O5 has a DFT-computed band gap of 5.31 eV across 5 reported structures.
Is MgSi2O5 a metal, semiconductor, or insulator?
With a wide band gap up to 5.31 eV it is an insulator / wide-band-gap material.
Is MgSi2O5 thermodynamically stable?
MgSi2O5 has a lowest energy above hull of 0.170 eV/atom (above hull).
What is the crystal structure of MgSi2O5?
The lowest-energy reported polymorph of MgSi2O5 is orthorhombic symmetry, space group Pbam (No. 55).
What is the density of MgSi2O5?
The computed density of the ground-state structure of MgSi2O5 is 3.70 g/cm³.
How many polymorphs of MgSi2O5 are known?
5 structures of MgSi2O5 are reported across 3 databases, spanning 1 distinct space group.
What elements does MgSi2O5 contain?
MgSi2O5 contains Mg, O, and Si (3 elements).
Where does the data for MgSi2O5 come from?
MgSi2O5 data is cross-referenced from materials_project, jarvis, mpaloe.
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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