TeF4
Tellurium tetrafluoride · Tetrafluorotellurium
Tellurium tetrafluoride is a reactive inorganic compound that exists as a colorless solid. It is primarily utilized as a specialized fluorinating agent in chemical synthesis and research laboratories.
FTe
Overview
Key Properties
Cross-validated computational properties for Tellurium tetrafluoride, 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.
4.02 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.
35
3 databases, 14 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for TeF4, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 4.02 | 0.0000 | -9.801 | 4.45 |
| P212121 (No. 19) | Orthorhombic | — | — | — | 3.96 |
| P4mm (No. 99) | Tetragonal | — | — | — | 6.20 |
| Pm (No. 6) | Monoclinic | — | — | — | 3.21 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 4.09 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 4.76 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 4.00 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.27 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.38 |
| P1 (No. 1) | Triclinic | — | — | — | 4.40 |
| Cmm2 (No. 35) | Orthorhombic | — | — | — | 3.47 |
| P212121 (No. 19) | Orthorhombic | — | — | — | 4.05 |
Uses
Applications
Where Tellurium tetrafluoride is used.
Fluorinating agentChemical synthesis reagent
Reference
Frequently Asked Questions
Common questions about Tellurium tetrafluoride, answered from cross-validated data.
What is TeF4?
Tellurium tetrafluoride is a reactive inorganic compound that exists as a colorless solid. It is primarily utilized as a specialized fluorinating agent in chemical synthesis and research laboratories.
More questions
What is TeF4 used for?
Tellurium tetrafluoride (TeF4) is used in fluorinating agent and chemical synthesis reagent.
What is the band gap of TeF4?
Tellurium tetrafluoride (TeF4) has a DFT-computed band gap of 4.02 eV across 35 reported structures.
Is TeF4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.02 eV it is an insulator / wide-band-gap material.
Is TeF4 thermodynamically stable?
Yes — Tellurium tetrafluoride (TeF4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of TeF4?
The lowest-energy reported polymorph of Tellurium tetrafluoride (TeF4) is orthorhombic symmetry, space group P212121 (No. 19).
What is the density of TeF4?
The computed density of the ground-state structure of Tellurium tetrafluoride (TeF4) is 4.45 g/cm³.
How many polymorphs of TeF4 are known?
35 structures of TeF4 are reported across 3 databases, spanning 14 distinct space groups.
What elements does TeF4 contain?
Tellurium tetrafluoride (TeF4) contains F and Te (2 elements).
Where does the data for TeF4 come from?
TeF4 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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