CsF3In
This compound is a complex inorganic fluoride containing cesium and indium. It is primarily studied in the context of solid-state chemistry and materials research for its structural properties.
CsFIn
Overview
Key Properties
Cross-validated computational properties for CsF3In, 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.
3.06 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.
0.013 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CsF3In, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 3.06 | 0.0127 | -14.118 | 4.90 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.1064 | -14.024 | 4.95 |
| Cmce (No. 64) | — | — | — | — | — |
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| Pm-3m (No. 221) | — | — | — | — | — |
Uses
Applications
Where CsF3In is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about CsF3In, answered from cross-validated data.
What is CsF3In?
This compound is a complex inorganic fluoride containing cesium and indium. It is primarily studied in the context of solid-state chemistry and materials research for its structural properties.
More questions
What is CsF3In used for?
CsF3In is used in materials science research and solid-state chemistry studies.
What is the band gap of CsF3In?
CsF3In has a DFT-computed band gap of 3.06 eV across 11 reported structures.
Is CsF3In a metal, semiconductor, or insulator?
With a wide band gap up to 3.06 eV it is an insulator / wide-band-gap material.
Is CsF3In thermodynamically stable?
CsF3In has a lowest energy above hull of 0.013 eV/atom (near hull (likely stable)).
What is the crystal structure of CsF3In?
The lowest-energy reported polymorph of CsF3In is cubic symmetry, space group Fm-3m (No. 225).
What is the density of CsF3In?
The computed density of the ground-state structure of CsF3In is 4.90 g/cm³.
How many polymorphs of CsF3In are known?
11 structures of CsF3In are reported across 3 databases, spanning 3 distinct space groups.
What elements does CsF3In contain?
CsF3In contains Cs, F, and In (3 elements).
Where does the data for CsF3In come from?
CsF3In data is cross-referenced from materials_project, nomad, alexandria.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- alexandria — Data from alexandria.
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