MgCrF5
MgCrF5 is a metastable, insulating fluoride compound used primarily in advanced materials research.
About MgCrF5
MgCrF5 is a complex fluoride material characterized by its wide-gap insulating electronic nature. As a metastable compound, it represents a specialized structural configuration that offers researchers insights into the behavior of transition metal fluorides under varying conditions.
This material is primarily utilized in fundamental materials science research, where its specific electronic and structural properties are studied to understand phase stability and chemical bonding in metal-fluoride systems. Its existence across multiple structural configurations highlights its versatility in experimental studies.
Key Properties
Cross-validated computational properties for MgCrF5, 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 MgCrF5, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 3.18 | 0.0405 | -6.312 | 3.21 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.21 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.44 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.36 |
Applications
Where MgCrF5 is used.
Frequently Asked Questions
Common questions about MgCrF5, answered from cross-validated data.
What is MgCrF5?
MgCrF5 is a metastable, insulating fluoride compound used primarily in advanced materials research.
What is MgCrF5 used for?
What is the band gap of MgCrF5?
Is MgCrF5 a metal, semiconductor, or insulator?
Is MgCrF5 thermodynamically stable?
What is the crystal structure of MgCrF5?
What is the density of MgCrF5?
How many polymorphs of MgCrF5 are known?
What elements does MgCrF5 contain?
Where does the data for MgCrF5 come from?
How It Compares
As a specialized fluoride, MgCrF5 occupies a distinct niche in materials science, serving as a subject for exploring metastable phases that are not typically accessible in more stable, common fluoride compounds.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
Analyze MgCrF5 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →