CsF3Sn
This compound is a complex inorganic fluoride containing cesium and tin. It is primarily studied in the context of solid-state chemistry and materials research regarding fluoride-based ionic conductors.
Overview
Key Properties
Cross-validated computational properties for CsF3Sn, aggregated across 4 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.
3.10–4.17 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
4 databases, 5 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CsF3Sn. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
1
materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for CsF3Sn, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.79 | 0.0000 | -4.911 | 4.24 |
| Pnma (No. 62) | orthorhombic | 4.17 | 0.0034 | -14.522 | 4.70 |
| R3c (No. 161) | trigonal | 3.83 | 0.0136 | -4.897 | 4.50 |
| P1 (No. 1) | triclinic | 3.10 | 0.0265 | -4.885 | 4.35 |
| — | — | — | — | — | — |
| — | — | — | — | — | 2.99 |
| No. 0 | unknown | — | — | — | 1.13 |
Uses
Applications
Where CsF3Sn is used.
Solid-state chemistry researchMaterials science studies
Reference
Frequently Asked Questions
Common questions about CsF3Sn, answered from cross-validated data.
What is CsF3Sn?
This compound is a complex inorganic fluoride containing cesium and tin. It is primarily studied in the context of solid-state chemistry and materials research regarding fluoride-based ionic conductors.
More questions
What is CsF3Sn used for?
CsF3Sn is used in solid-state chemistry research and materials science studies.
What is the band gap of CsF3Sn?
CsF3Sn has a DFT-computed band gap of 3.10–4.17 eV across 7 reported structures.
Is CsF3Sn a metal, semiconductor, or insulator?
With a wide band gap up to 4.17 eV it is an insulator / wide-band-gap material.
Is CsF3Sn thermodynamically stable?
Yes — CsF3Sn sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of CsF3Sn?
The lowest-energy reported polymorph of CsF3Sn is monoclinic symmetry, space group P21/c (No. 14).
What is the density of CsF3Sn?
The computed density of the ground-state structure of CsF3Sn is 4.24 g/cm³.
How many polymorphs of CsF3Sn are known?
7 structures of CsF3Sn are reported across 4 databases, spanning 5 distinct space groups.
What elements does CsF3Sn contain?
CsF3Sn contains Cs, F, and Sn (3 elements).
Where does the data for CsF3Sn come from?
CsF3Sn data is cross-referenced from materials_project, alexandria, omat24, cod.
Explore
Related Compounds
Other Halide Perovskite Photovoltaics in the database.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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