F16Sb4Tl4
F16Sb4Tl4 is a thermodynamically stable, insulating inorganic compound with a complex structural profile.
About F16Sb4Tl4
F16Sb4Tl4 is a complex inorganic compound characterized by its wide-band-gap insulating electronic profile. Its position on the convex hull indicates that it is a thermodynamically stable material, suggesting robust structural integrity under standard conditions.
This material is recognized for its structural diversity, with multiple distinct configurations reported across scientific databases. As a stable insulator, it serves as a subject of interest for researchers investigating the fundamental properties of fluoride-based systems containing heavy metal cations.
Key Properties
Cross-validated computational properties for F16Sb4Tl4, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for F16Sb4Tl4, 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 | 3.86 | 0.0000 | -4.859 | 6.44 |
| P21/c (No. 14) | — | — | — | — | — |
| I-4 (No. 82) | tetragonal | — | — | — | 1.09 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where F16Sb4Tl4 is used.
Frequently Asked Questions
Common questions about F16Sb4Tl4, answered from cross-validated data.
What is F16Sb4Tl4?
F16Sb4Tl4 is a thermodynamically stable, insulating inorganic compound with a complex structural profile.
What is F16Sb4Tl4 used for?
What is the band gap of F16Sb4Tl4?
Is F16Sb4Tl4 a metal, semiconductor, or insulator?
Is F16Sb4Tl4 thermodynamically stable?
What is the crystal structure of F16Sb4Tl4?
What is the density of F16Sb4Tl4?
How many polymorphs of F16Sb4Tl4 are known?
What elements does F16Sb4Tl4 contain?
Where does the data for F16Sb4Tl4 come from?
How It Compares
As a unique inorganic compound, F16Sb4Tl4 represents a specialized structural arrangement within its chemical family. It serves as a benchmark for stability in complex fluoride systems, providing a foundation for understanding how the integration of thallium and antimony influences the insulating behavior of the lattice.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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