Cs4F12Ga2Na2
This compound is a complex inorganic fluoride containing cesium, sodium, and gallium. It is primarily studied in materials science research for its structural properties and potential roles in solid-state chemistry.
CsFGaNa
Overview
Key Properties
Cross-validated computational properties for Cs4F12Ga2Na2, 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.
5.85–5.97 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.
4
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cs4F12Ga2Na2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 5.97 | 0.0000 | -4.823 | 4.38 |
| Fm-3m (No. 225) | cubic | 5.85 | 0.0086 | -4.815 | 4.55 |
| R-3m (No. 166) | — | — | — | — | — |
| — | — | — | — | — | 3.38 |
Uses
Applications
Where Cs4F12Ga2Na2 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Cs4F12Ga2Na2, answered from cross-validated data.
What is Cs4F12Ga2Na2?
This compound is a complex inorganic fluoride containing cesium, sodium, and gallium. It is primarily studied in materials science research for its structural properties and potential roles in solid-state chemistry.
More questions
What is Cs4F12Ga2Na2 used for?
Cs4F12Ga2Na2 is used in materials science research and solid-state chemistry studies.
What is the band gap of Cs4F12Ga2Na2?
Cs4F12Ga2Na2 has a DFT-computed band gap of 5.85–5.97 eV across 4 reported structures.
Is Cs4F12Ga2Na2 a metal, semiconductor, or insulator?
With a wide band gap up to 5.97 eV it is an insulator / wide-band-gap material.
Is Cs4F12Ga2Na2 thermodynamically stable?
Yes — Cs4F12Ga2Na2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cs4F12Ga2Na2?
The lowest-energy reported polymorph of Cs4F12Ga2Na2 is trigonal symmetry, space group R-3m (No. 166).
What is the density of Cs4F12Ga2Na2?
The computed density of the ground-state structure of Cs4F12Ga2Na2 is 4.38 g/cm³.
How many polymorphs of Cs4F12Ga2Na2 are known?
4 structures of Cs4F12Ga2Na2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cs4F12Ga2Na2 contain?
Cs4F12Ga2Na2 contains Cs, F, Ga, and Na (4 elements).
Where does the data for Cs4F12Ga2Na2 come from?
Cs4F12Ga2Na2 data is cross-referenced from materials_project, aflow, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze Cs4F12Ga2Na2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →