Ca2MgSi2O7
Akermanite · Åkermanite
Ca2MgSi2O7 is a stable, insulating silicate mineral that serves as a key subject for structural and geological research.
About Akermanite
Ca2MgSi2O7 is a silicate compound characterized by its insulating electronic nature and wide band gap. As a near-hull material, it exhibits high thermodynamic stability, making it a viable candidate for synthesis and experimental investigation in solid-state chemistry.
This compound is of significant interest in mineralogy and materials science due to its structural complexity and prevalence in various geological environments. Its stability profile suggests it can be reliably synthesized, providing a foundation for studying silicate frameworks in high-temperature applications and ceramic development.
Key Properties
Cross-validated computational properties for Akermanite, aggregated across 4 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 Ca2MgSi2O7, 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. |
|---|---|---|---|---|---|
| P-421m (No. 113) | tetragonal | 4.47 | 0.0226 | -7.635 | 2.87 |
| P21/c (No. 14) | monoclinic | 4.60 | 0.0253 | -7.633 | 2.96 |
| P-421m (No. 113) | tetragonal | 4.23 | 0.1763 | -7.482 | 3.03 |
| No. 0 | unknown | — | — | — | 0.85 |
| P-421m (No. 113) | Tetragonal | — | — | — | 2.87 |
| P-421m (No. 113) | Tetragonal | — | — | — | 3.02 |
| P-421m (No. 113) | Tetragonal | — | — | — | 2.92 |
| P-421m (No. 113) | Tetragonal | — | — | — | 3.03 |
| P-421m (No. 113) | Tetragonal | — | — | — | 3.10 |
| P-421m (No. 113) | Tetragonal | — | — | — | 3.06 |
| P21/c (No. 14) | — | — | — | — | — |
| P-421m (No. 113) | — | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Ca2MgSi2O7.
Applications
Where Akermanite is used.
Frequently Asked Questions
Common questions about Akermanite, answered from cross-validated data.
What is Ca2MgSi2O7?
Ca2MgSi2O7 is a stable, insulating silicate mineral that serves as a key subject for structural and geological research.
What is Ca2MgSi2O7 used for?
What is the band gap of Ca2MgSi2O7?
Is Ca2MgSi2O7 a metal, semiconductor, or insulator?
Is Ca2MgSi2O7 thermodynamically stable?
What is the crystal structure of Ca2MgSi2O7?
What is the density of Ca2MgSi2O7?
How many polymorphs of Ca2MgSi2O7 are known?
How is Ca2MgSi2O7 synthesized?
What elements does Ca2MgSi2O7 contain?
Where does the data for Ca2MgSi2O7 come from?
How It Compares
As a distinct silicate, Ca2MgSi2O7 represents a stable configuration within its chemical family. While it stands as a unique structural entity, it serves as a primary reference point for understanding the thermodynamic behavior and synthesis pathways of complex alkaline earth silicates.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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