MgCoSiO5
This compound is a complex silicate mineral containing magnesium and cobalt. It is primarily studied for its structural properties and potential magnetic behavior in solid-state chemistry research.
CoMgOSi
Overview
Key Properties
Cross-validated computational properties for MgCoSiO5, 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.
0.02 eV
Range across DFT structures
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.
0.123 eV/atom
Best (lowest) across sources
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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
10
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MgCoSiO5, 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-1 (No. 2) | triclinic | 0.02 | 0.1232 | -7.169 | 3.68 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.1568 | -7.136 | 3.81 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.68 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.07 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.92 |
| P-1 (No. 2) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.22 |
| P-1 (No. 2) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.81 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.07 |
Uses
Applications
Where MgCoSiO5 is used.
Materials science researchSolid-state physics studiesGeological mineralogical analysis
Reference
Frequently Asked Questions
Common questions about MgCoSiO5, answered from cross-validated data.
What is MgCoSiO5?
This compound is a complex silicate mineral containing magnesium and cobalt. It is primarily studied for its structural properties and potential magnetic behavior in solid-state chemistry research.
More questions
What is MgCoSiO5 used for?
MgCoSiO5 is used in materials science research, solid-state physics studies, and geological mineralogical analysis.
What is the band gap of MgCoSiO5?
MgCoSiO5 has a DFT-computed band gap of 0.02 eV across 10 reported structures.
Is MgCoSiO5 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is MgCoSiO5 thermodynamically stable?
MgCoSiO5 has a lowest energy above hull of 0.123 eV/atom (above hull).
What is the crystal structure of MgCoSiO5?
The lowest-energy reported polymorph of MgCoSiO5 is triclinic symmetry, space group P-1 (No. 2).
What is the density of MgCoSiO5?
The computed density of the ground-state structure of MgCoSiO5 is 3.68 g/cm³.
How many polymorphs of MgCoSiO5 are known?
10 structures of MgCoSiO5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does MgCoSiO5 contain?
MgCoSiO5 contains Co, Mg, O, and Si (4 elements).
Where does the data for MgCoSiO5 come from?
MgCoSiO5 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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