F4H4Mg4O4
F4H4Mg4O4 is a thermodynamically stable, insulating magnesium oxyfluoride compound.
About F4H4Mg4O4
F4H4Mg4O4 is a distinct inorganic compound characterized by its insulating electronic behavior and significant thermodynamic stability. As a material that resides on the convex hull, it represents a robust phase within its compositional space, offering a stable framework for further investigation into its structural properties.
Its wide-band-gap nature suggests potential utility in applications requiring stable dielectric or insulating materials. While it remains a specialized subject of study, its stability makes it a compelling candidate for researchers exploring complex magnesium-based oxyfluoride systems.
Key Properties
Cross-validated computational properties for F4H4Mg4O4, 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 F4H4Mg4O4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 4.73 | 0.0000 | -5.669 | 2.65 |
| No. 0 | unknown | — | — | — | 0.69 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where F4H4Mg4O4 is used.
Frequently Asked Questions
Common questions about F4H4Mg4O4, answered from cross-validated data.
What is F4H4Mg4O4?
F4H4Mg4O4 is a thermodynamically stable, insulating magnesium oxyfluoride compound.
What is F4H4Mg4O4 used for?
What is the band gap of F4H4Mg4O4?
Is F4H4Mg4O4 a metal, semiconductor, or insulator?
Is F4H4Mg4O4 thermodynamically stable?
What is the crystal structure of F4H4Mg4O4?
What is the density of F4H4Mg4O4?
How many polymorphs of F4H4Mg4O4 are known?
What elements does F4H4Mg4O4 contain?
Where does the data for F4H4Mg4O4 come from?
How It Compares
As a thermodynamically stable phase, this compound serves as a foundational reference point for exploring the broader landscape of magnesium-based oxyfluorides, representing a well-defined structural arrangement within this chemical family.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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