MgCoSiO4
MgCoSiO4 is a metastable semiconducting silicate compound containing magnesium and cobalt.
About MgCoSiO4
MgCoSiO4 is a complex silicate material characterized by its semiconducting electronic nature. As a metastable compound, it represents a unique structural configuration that offers intriguing possibilities for materials scientists investigating transition metal-doped silicate frameworks.
Its existence across multiple reported structures highlights its significance in solid-state chemistry. The integration of magnesium and cobalt within the silicate lattice makes it a subject of interest for those studying the influence of cation substitution on electronic and structural stability.
Key Properties
Cross-validated computational properties for MgCoSiO4, 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 MgCoSiO4. 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 MgCoSiO4, 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. |
|---|---|---|---|---|---|
| — | — | 2.70 | 0.0000 | -2.588 | — |
| — | — | 2.82 | 0.0335 | -2.555 | — |
| Pnma (No. 62) | orthorhombic | 2.60 | 0.0379 | -7.488 | 3.85 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.1161 | -2.324 | — |
| Pnma (No. 62) | orthorhombic | — | — | — | 3.97 |
| Pnma (No. 62) | orthorhombic | — | — | — | 3.98 |
| Pnma (No. 62) | orthorhombic | — | — | — | 3.97 |
| Pnma (No. 62) | orthorhombic | — | — | — | 3.92 |
| Pnma (No. 62) | orthorhombic | — | — | — | 3.97 |
| Pnma (No. 62) | orthorhombic | — | — | — | 3.97 |
| Pnma (No. 62) | orthorhombic | — | — | — | 3.82 |
| Pnma (No. 62) | orthorhombic | — | — | — | 3.88 |
Synthesis Routes
Literature-extracted synthesis procedures targeting MgCoSiO4.
Applications
Where MgCoSiO4 is used.
Frequently Asked Questions
Common questions about MgCoSiO4, answered from cross-validated data.
What is MgCoSiO4?
MgCoSiO4 is a metastable semiconducting silicate compound containing magnesium and cobalt.
What is MgCoSiO4 used for?
What is the band gap of MgCoSiO4?
Is MgCoSiO4 a metal, semiconductor, or insulator?
Is MgCoSiO4 thermodynamically stable?
What is the crystal structure of MgCoSiO4?
What is the density of MgCoSiO4?
How many polymorphs of MgCoSiO4 are known?
How is MgCoSiO4 synthesized?
What elements does MgCoSiO4 contain?
Where does the data for MgCoSiO4 come from?
How It Compares
As a unique silicate phase, MgCoSiO4 occupies a specialized niche within its compound class. While it lacks direct siblings in this specific dataset, its metastable nature distinguishes it from more common, highly stable silicate minerals, positioning it as a candidate for research into non-equilibrium material synthesis.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- 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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