CaMn2F10
CaMn2F10 is a metastable, semiconducting fluoride compound composed of calcium, manganese, and fluorine.
About CaMn2F10
CaMn2F10 is a complex fluoride compound characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique arrangement of calcium, manganese, and fluorine atoms that requires specific synthesis conditions to stabilize within a crystalline lattice.
This material is primarily of interest in fundamental solid-state research, where its distinct stoichiometry and electronic properties provide insights into the behavior of transition metal fluorides. Its existence across multiple structural databases underscores its significance as a subject of ongoing investigation in materials science.
Key Properties
Cross-validated computational properties for CaMn2F10, 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 CaMn2F10, 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 (No. 5) | monoclinic | 1.71 | 0.0352 | -5.891 | 2.87 |
| C2 (No. 5) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 2.96 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.87 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.07 |
Applications
Where CaMn2F10 is used.
Frequently Asked Questions
Common questions about CaMn2F10, answered from cross-validated data.
What is CaMn2F10?
CaMn2F10 is a metastable, semiconducting fluoride compound composed of calcium, manganese, and fluorine.
What is CaMn2F10 used for?
What is the band gap of CaMn2F10?
Is CaMn2F10 a metal, semiconductor, or insulator?
Is CaMn2F10 thermodynamically stable?
What is the crystal structure of CaMn2F10?
What is the density of CaMn2F10?
How many polymorphs of CaMn2F10 are known?
What elements does CaMn2F10 contain?
Where does the data for CaMn2F10 come from?
How It Compares
As a specialized fluoride, CaMn2F10 occupies a niche position in materials science where its metastable nature distinguishes it from more common, highly stable mineral phases. It serves as a representative example of how transition metal and alkaline earth combinations can yield complex, semiconducting frameworks that deviate from standard structural motifs.
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.
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