CdF3Tl
CdF3Tl is a thermodynamically stable, insulating inorganic compound characterized by a wide electronic band gap.
About CdF3Tl
CdF3Tl is a thermodynamically stable inorganic compound that exhibits the characteristics of a wide-band-gap insulator. Its placement on the convex hull suggests a robust structural configuration that is energetically favorable under standard conditions.
Due to its distinct electronic nature, this material serves as a subject of interest in solid-state chemistry research. With multiple reported structures across various databases, it represents a well-documented entry in the study of complex fluoride-based systems.
Key Properties
Cross-validated computational properties for CdF3Tl, 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 CdF3Tl, 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. |
|---|---|---|---|---|---|
| Pbam (No. 55) | orthorhombic | 3.94 | 0.0000 | -18.763 | 7.32 |
| Cm (No. 8) | monoclinic | 4.24 | 0.0064 | -18.756 | 7.17 |
| R3m (No. 160) | trigonal | 4.19 | 0.0092 | -18.754 | 7.19 |
| — | — | — | — | — | — |
| — | — | — | — | — | 6.33 |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
Frequently Asked Questions
Common questions about CdF3Tl, answered from cross-validated data.
What is CdF3Tl?
CdF3Tl is a thermodynamically stable, insulating inorganic compound characterized by a wide electronic band gap.
What is the band gap of CdF3Tl?
Is CdF3Tl a metal, semiconductor, or insulator?
Is CdF3Tl thermodynamically stable?
What is the crystal structure of CdF3Tl?
What is the density of CdF3Tl?
How many polymorphs of CdF3Tl are known?
What elements does CdF3Tl contain?
Where does the data for CdF3Tl come from?
How It Compares
As a unique inorganic compound, CdF3Tl occupies a specialized niche in materials science. Without direct structural siblings in this specific class, it stands as a standalone reference point for understanding the interplay between cadmium, fluorine, and thallium in insulating crystalline lattices.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze CdF3Tl in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →