Ba2F20Te4
Ba2F20Te4 is a thermodynamically stable, insulating complex fluoride-telluride compound.
About Ba2F20Te4
Ba2F20Te4 is a complex inorganic compound composed of barium, fluorine, and tellurium. As a thermodynamically stable material located on the convex hull, it represents a robust phase within its chemical system, offering structural integrity for fundamental research. The material exhibits a wide-gap insulating electronic character, which is typical for compounds where highly electronegative fluorine atoms effectively localize charge. This electronic profile makes it an interesting candidate for specialized dielectric applications where insulating behavior is paramount.
Key Properties
Cross-validated computational properties for Ba2F20Te4, 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.
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 Ba2F20Te4, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 4.87 | 0.0000 | -5.011 | 4.91 |
| — | — | — | — | — | 4.60 |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where Ba2F20Te4 is used.
Frequently Asked Questions
Common questions about Ba2F20Te4, answered from cross-validated data.
What is Ba2F20Te4?
Ba2F20Te4 is a thermodynamically stable, insulating complex fluoride-telluride compound.
What is Ba2F20Te4 used for?
What is the band gap of Ba2F20Te4?
Is Ba2F20Te4 a metal, semiconductor, or insulator?
Is Ba2F20Te4 thermodynamically stable?
What is the crystal structure of Ba2F20Te4?
What is the density of Ba2F20Te4?
How many polymorphs of Ba2F20Te4 are known?
What elements does Ba2F20Te4 contain?
Where does the data for Ba2F20Te4 come from?
How It Compares
As a unique phase within its chemical family, Ba2F20Te4 occupies a distinct position on the stability landscape. While it stands as a singular entity in this context without direct structural siblings, its presence on the convex hull highlights its significance as a stable reference point for future exploration of barium-fluorine-tellurium materials.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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