Cd3F6Mn
Cd3F6Mn is a complex, semimetallic compound containing cadmium, fluorine, and manganese that exhibits a near-zero electronic gap.
About Cd3F6Mn
Cd3F6Mn is a complex inorganic compound composed of cadmium, fluorine, and manganese. Its electronic structure exhibits a near-zero-gap character, placing it in the category of semimetallic materials that bridge the gap between conductors and insulators.
Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. While it remains a subject of theoretical interest, its structural complexity is highlighted by multiple reported configurations across research databases.
Key Properties
Cross-validated computational properties for Cd3F6Mn, 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 Cd3F6Mn, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.05 | 0.5631 | -4.160 | 1.66 |
| — | — | — | — | — | — |
| — | — | — | — | — | 4.60 |
Frequently Asked Questions
Common questions about Cd3F6Mn, answered from cross-validated data.
What is Cd3F6Mn?
Cd3F6Mn is a complex, semimetallic compound containing cadmium, fluorine, and manganese that exhibits a near-zero electronic gap.
What is the band gap of Cd3F6Mn?
Is Cd3F6Mn a metal, semiconductor, or insulator?
Is Cd3F6Mn thermodynamically stable?
What is the crystal structure of Cd3F6Mn?
What is the density of Cd3F6Mn?
How many polymorphs of Cd3F6Mn are known?
What elements does Cd3F6Mn contain?
Where does the data for Cd3F6Mn come from?
How It Compares
As a unique inorganic system, Cd3F6Mn represents a specialized case within materials science, serving as a distinct example of a semimetallic fluoride-based compound that warrants further investigation into its structural stability and electronic potential.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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