CaSnF4
Calcium tin fluoride
This inorganic compound is a fluoride material often studied for its ionic conductivity properties. It is primarily investigated in the field of solid-state chemistry for potential use in advanced electrochemical devices.
CaFSn
Overview
Key Properties
Cross-validated computational properties for CaSnF4, 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.
3.50 eV
Range across DFT structures
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.
0.046 eV/atom
Best (lowest) across sources
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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for CaSnF4, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 3.50 | 0.0461 | -5.631 | 4.21 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 4.37 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 4.21 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 4.36 |
Uses
Applications
Where CaSnF4 is used.
Solid-state electrolyte researchIonic conductor developmentMaterials science experimentation
Reference
Frequently Asked Questions
Common questions about CaSnF4, answered from cross-validated data.
What is CaSnF4?
This inorganic compound is a fluoride material often studied for its ionic conductivity properties. It is primarily investigated in the field of solid-state chemistry for potential use in advanced electrochemical devices.
More questions
What is CaSnF4 used for?
CaSnF4 is used in solid-state electrolyte research, ionic conductor development, and materials science experimentation.
What is the band gap of CaSnF4?
CaSnF4 has a DFT-computed band gap of 3.50 eV across 5 reported structures.
Is CaSnF4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.50 eV it is an insulator / wide-band-gap material.
Is CaSnF4 thermodynamically stable?
CaSnF4 has a lowest energy above hull of 0.046 eV/atom (metastable).
What is the crystal structure of CaSnF4?
The lowest-energy reported polymorph of CaSnF4 is tetragonal symmetry, space group P4/mmm (No. 123).
What is the density of CaSnF4?
The computed density of the ground-state structure of CaSnF4 is 4.21 g/cm³.
How many polymorphs of CaSnF4 are known?
5 structures of CaSnF4 are reported across 3 databases, spanning 1 distinct space group.
What elements does CaSnF4 contain?
CaSnF4 contains Ca, F, and Sn (3 elements).
Where does the data for CaSnF4 come from?
CaSnF4 data is cross-referenced from materials_project, jarvis, mpaloe.
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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