MgCoF4
MgCoF4 is a wide-gap insulating fluoride compound that exhibits structural complexity despite its metastable thermodynamic state.
About MgCoF4
MgCoF4 is a complex fluoride compound characterized by its insulating electronic nature. As a wide-gap material, it represents a niche composition within inorganic chemistry, drawing interest for its structural diversity despite its metastable nature relative to the ground state.
Because it exists above the thermodynamic hull, this compound is a subject of interest for researchers studying phase stability and synthesis pathways. Its multiple reported structural configurations reflect the complex coordination chemistry possible within metal-fluoride systems.
Key Properties
Cross-validated computational properties for MgCoF4, 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.
Reported Structures
Lowest-energy structures reported for MgCoF4, 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. |
|---|---|---|---|---|---|
| I222 (No. 23) | orthorhombic | 4.09 | 0.1174 | -5.699 | 4.17 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.78 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.03 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.07 |
| I-4 (No. 82) | — | — | — | — | — |
Applications
Where MgCoF4 is used.
Frequently Asked Questions
Common questions about MgCoF4, answered from cross-validated data.
What is MgCoF4?
MgCoF4 is a wide-gap insulating fluoride compound that exhibits structural complexity despite its metastable thermodynamic state.
What is MgCoF4 used for?
What is the band gap of MgCoF4?
Is MgCoF4 a metal, semiconductor, or insulator?
Is MgCoF4 thermodynamically stable?
What is the crystal structure of MgCoF4?
What is the density of MgCoF4?
How many polymorphs of MgCoF4 are known?
What elements does MgCoF4 contain?
Where does the data for MgCoF4 come from?
How It Compares
As a unique fluoride composition, MgCoF4 serves as a distinct point of study within the broader family of metal-fluoride materials, offering insights into how magnesium and cobalt ions interact within a fluorinated lattice.
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).
Analyze MgCoF4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →