MgCo4OF11
MgCo4OF11 is a semiconducting oxyfluoride compound containing magnesium and cobalt that is currently being studied for its structural complexity.
About MgCo4OF11
MgCo4OF11 is a complex oxyfluoride compound composed of magnesium, cobalt, oxygen, and fluorine. As a semiconducting material, it exhibits electronic properties that bridge the gap between metallic conductors and insulating oxides, making it a subject of interest for researchers investigating multi-anion systems.
While this compound is currently identified as being above the thermodynamic hull, its existence across multiple reported structures suggests a complex energy landscape. It serves as an intriguing example of how cobalt-based frameworks can accommodate diverse anionic environments, offering potential pathways for synthetic exploration in inorganic chemistry.
Key Properties
Cross-validated computational properties for MgCo4OF11, aggregated across 2 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 MgCo4OF11, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.48 | 0.1179 | -5.605 | 3.74 |
| P1 (No. 1) | triclinic | 0.69 | 0.1263 | -5.597 | 3.73 |
| P1 (No. 1) | triclinic | 0.52 | 0.1275 | -5.596 | 3.74 |
| P1 (No. 1) | triclinic | 0.11 | 0.1311 | -5.592 | 3.77 |
| P1 (No. 1) | triclinic | 0.47 | 0.1371 | -5.586 | 3.78 |
| P1 (No. 1) | triclinic | 0.14 | 0.1442 | -5.579 | 3.77 |
| P1 (No. 1) | triclinic | 0.60 | 0.1883 | -5.535 | 3.79 |
| P1 (No. 1) | Triclinic | — | — | — | 4.03 |
| P1 (No. 1) | Triclinic | — | — | — | 3.79 |
| P1 (No. 1) | Triclinic | — | — | — | 4.10 |
| P1 (No. 1) | Triclinic | — | — | — | 3.77 |
| P1 (No. 1) | Triclinic | — | — | — | 4.25 |
Applications
Where MgCo4OF11 is used.
Frequently Asked Questions
Common questions about MgCo4OF11, answered from cross-validated data.
What is MgCo4OF11?
MgCo4OF11 is a semiconducting oxyfluoride compound containing magnesium and cobalt that is currently being studied for its structural complexity.
What is MgCo4OF11 used for?
What is the band gap of MgCo4OF11?
Is MgCo4OF11 a metal, semiconductor, or insulator?
Is MgCo4OF11 thermodynamically stable?
What is the crystal structure of MgCo4OF11?
What is the density of MgCo4OF11?
How many polymorphs of MgCo4OF11 are known?
What elements does MgCo4OF11 contain?
Where does the data for MgCo4OF11 come from?
How It Compares
As a unique oxyfluoride, MgCo4OF11 occupies a specialized niche in materials research. Without direct structural siblings in this specific class, it stands as an independent case study for how magnesium and cobalt ions coordinate with mixed oxygen and fluorine ligands to form semiconducting lattices.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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