CaMgSiO4
monticellite · calcium magnesium silicate
CaMgSiO4 is a stable, insulating calcium magnesium silicate mineral often found in contact metamorphic rocks.
About monticellite
CaMgSiO4 is a naturally occurring silicate mineral that exhibits a wide-gap insulating electronic character. As a thermodynamically stable phase, it maintains structural integrity under various conditions, making it a significant subject of study in mineralogy and materials science.
Its unique composition allows it to serve as a model system for understanding complex silicate frameworks. With multiple reported structural variations, this compound provides valuable insights into the stability and phase behavior of alkaline earth silicates in geochemical environments.
Key Properties
Cross-validated computational properties for monticellite, 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 CaMgSiO4, 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 | 4.63 | 0.0000 | -7.483 | 2.96 |
| Pnma (No. 62) | orthorhombic | 4.71 | 0.0578 | -7.425 | 3.16 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.32 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.96 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.16 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.23 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.11 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.02 |
Applications
Where monticellite is used.
Frequently Asked Questions
Common questions about monticellite, answered from cross-validated data.
What is CaMgSiO4?
CaMgSiO4 is a stable, insulating calcium magnesium silicate mineral often found in contact metamorphic rocks.
What is CaMgSiO4 used for?
What is the band gap of CaMgSiO4?
Is CaMgSiO4 a metal, semiconductor, or insulator?
Is CaMgSiO4 thermodynamically stable?
What is the crystal structure of CaMgSiO4?
What is the density of CaMgSiO4?
How many polymorphs of CaMgSiO4 are known?
What elements does CaMgSiO4 contain?
Where does the data for CaMgSiO4 come from?
How It Compares
As a prominent member of the silicate family, CaMgSiO4 represents a stable structural archetype within its class. It serves as a fundamental reference point for understanding the behavior of magnesium and calcium-based mineral systems in high-temperature geological processes.
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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