CsF3Sr
This compound is a complex inorganic fluoride containing cesium, strontium, and fluorine. It is primarily studied in the context of solid-state chemistry and materials research for its unique structural properties.
CsFSr
Overview
Key Properties
Cross-validated computational properties for CsF3Sr, 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.
6.18 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.
0.019 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.
4
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for CsF3Sr, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 6.18 | 0.0193 | -13.566 | 4.26 |
| — | — | — | — | — | 2.78 |
| — | — | — | — | — | 3.94 |
| Pm-3m (No. 221) | — | — | — | — | — |
Uses
Applications
Where CsF3Sr is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about CsF3Sr, answered from cross-validated data.
What is CsF3Sr?
This compound is a complex inorganic fluoride containing cesium, strontium, and fluorine. It is primarily studied in the context of solid-state chemistry and materials research for its unique structural properties.
More questions
What is CsF3Sr used for?
CsF3Sr is used in materials science research and solid-state chemistry studies.
What is the band gap of CsF3Sr?
CsF3Sr has a DFT-computed band gap of 6.18 eV across 4 reported structures.
Is CsF3Sr a metal, semiconductor, or insulator?
With a wide band gap up to 6.18 eV it is an insulator / wide-band-gap material.
Is CsF3Sr thermodynamically stable?
CsF3Sr has a lowest energy above hull of 0.019 eV/atom (near hull (likely stable)).
What is the crystal structure of CsF3Sr?
The lowest-energy reported polymorph of CsF3Sr is cubic symmetry, space group Pm-3m (No. 221).
What is the density of CsF3Sr?
The computed density of the ground-state structure of CsF3Sr is 4.26 g/cm³.
How many polymorphs of CsF3Sr are known?
4 structures of CsF3Sr are reported across 3 databases, spanning 1 distinct space group.
What elements does CsF3Sr contain?
CsF3Sr contains Cs, F, and Sr (3 elements).
Where does the data for CsF3Sr come from?
CsF3Sr data is cross-referenced from materials_project, omat24, nomad.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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