CaTi2F10
CaTi2F10 is a metastable, wide-band-gap insulating fluoride compound primarily studied for its structural properties in materials science research.
About CaTi2F10
CaTi2F10 is a complex fluoride material characterized by its wide-band-gap insulating electronic nature. As a metastable phase, it represents a specialized structural configuration within the broader family of calcium-titanium-fluorine systems, drawing interest for its potential in advanced dielectric applications.
Researchers investigate this compound to better understand the structural diversity of fluoride lattices. Its existence as a metastable phase highlights the intricate synthesis pathways required to stabilize such materials, making it a subject of fundamental interest in solid-state chemistry.
Key Properties
Cross-validated computational properties for CaTi2F10, 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 CaTi2F10, 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 | 4.10 | 0.0323 | -6.671 | 2.55 |
| C2 (No. 5) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 2.55 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.66 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.60 |
Applications
Where CaTi2F10 is used.
Frequently Asked Questions
Common questions about CaTi2F10, answered from cross-validated data.
What is CaTi2F10?
CaTi2F10 is a metastable, wide-band-gap insulating fluoride compound primarily studied for its structural properties in materials science research.
What is CaTi2F10 used for?
What is the band gap of CaTi2F10?
Is CaTi2F10 a metal, semiconductor, or insulator?
Is CaTi2F10 thermodynamically stable?
What is the crystal structure of CaTi2F10?
What is the density of CaTi2F10?
How many polymorphs of CaTi2F10 are known?
What elements does CaTi2F10 contain?
Where does the data for CaTi2F10 come from?
How It Compares
As a unique fluoride phase, CaTi2F10 serves as a distinct example of how calcium and titanium can coordinate with fluorine to form insulating frameworks. It occupies a specific niche in inorganic chemistry where structural metastability is a defining feature, distinguishing it from more common, highly stable mineral-like 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 CaTi2F10 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →