MgCo6O7F5
MgCo6O7F5 is a semiconducting oxyfluoride containing magnesium and cobalt that is primarily studied for its complex structural properties.
About MgCo6O7F5
MgCo6O7F5 is a complex inorganic compound composed of magnesium, cobalt, oxygen, and fluorine. As a semiconducting material, it represents a unique intersection of transition metal chemistry and halide-oxide structural motifs, offering potential for specialized electronic applications.
Due to its position relative to the thermodynamic ground state, this compound is considered metastable. Its existence across multiple reported structures indicates a high degree of interest in its crystallographic complexity and the fundamental physics governing its formation.
Key Properties
Cross-validated computational properties for MgCo6O7F5, 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 MgCo6O7F5, 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 | 0.38 | 0.1823 | -6.372 | 4.52 |
| P1 (No. 1) | triclinic | 0.02 | 0.1860 | -6.368 | 4.52 |
| P1 (No. 1) | triclinic | 0.05 | 0.1978 | -6.357 | 4.63 |
| P1 (No. 1) | triclinic | 0.08 | 0.1987 | -6.356 | 4.53 |
| P1 (No. 1) | triclinic | 0.36 | 0.2020 | -6.353 | 4.72 |
| P1 (No. 1) | triclinic | 0.00 | 0.2027 | -6.352 | 4.58 |
| P1 (No. 1) | triclinic | 0.53 | 0.2124 | -6.342 | 4.54 |
| P1 (No. 1) | triclinic | 0.44 | 0.2124 | -6.342 | 4.50 |
| P1 (No. 1) | triclinic | 0.94 | 0.2163 | -6.338 | 4.18 |
| P1 (No. 1) | triclinic | 0.40 | 0.2230 | -6.331 | 4.33 |
| P1 (No. 1) | triclinic | 0.08 | 0.2321 | -6.322 | 4.41 |
| P1 (No. 1) | triclinic | 0.06 | 0.2335 | -6.321 | 4.47 |
Applications
Where MgCo6O7F5 is used.
Frequently Asked Questions
Common questions about MgCo6O7F5, answered from cross-validated data.
What is MgCo6O7F5?
MgCo6O7F5 is a semiconducting oxyfluoride containing magnesium and cobalt that is primarily studied for its complex structural properties.
What is MgCo6O7F5 used for?
What is the band gap of MgCo6O7F5?
Is MgCo6O7F5 a metal, semiconductor, or insulator?
Is MgCo6O7F5 thermodynamically stable?
What is the crystal structure of MgCo6O7F5?
What is the density of MgCo6O7F5?
How many polymorphs of MgCo6O7F5 are known?
What elements does MgCo6O7F5 contain?
Where does the data for MgCo6O7F5 come from?
How It Compares
As a unique oxyfluoride, MgCo6O7F5 occupies a specialized niche in materials science. Unlike more conventional binary oxides, its multicomponent nature allows for distinct electronic tuning, positioning it as a subject of interest for researchers exploring non-equilibrium phases in complex transition metal systems.
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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