K1Pb1Tl2
K1Pb1Tl2 is a semimetallic, thermodynamically unstable compound studied for its structural properties within the perovskite-related material class.
About K1Pb1Tl2
K1Pb1Tl2 is a complex ternary compound categorized within the broader context of halide perovskite-related materials. Its electronic structure exhibits a near-zero-gap character, identifying it as a semimetallic material rather than a traditional semiconductor.
Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Its investigation contributes to the fundamental understanding of structural diversity within the perovskite-like class, despite its limited practical utility compared to more stable counterparts.
Key Properties
Cross-validated computational properties for K1Pb1Tl2, aggregated across 2 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 K1Pb1Tl2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.09 | 0.9157 | -1.591 | 0.66 |
| Immm (No. 71) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Frequently Asked Questions
Common questions about K1Pb1Tl2, answered from cross-validated data.
What is K1Pb1Tl2?
K1Pb1Tl2 is a semimetallic, thermodynamically unstable compound studied for its structural properties within the perovskite-related material class.
What is the band gap of K1Pb1Tl2?
Is K1Pb1Tl2 a metal, semiconductor, or insulator?
Is K1Pb1Tl2 thermodynamically stable?
What is the crystal structure of K1Pb1Tl2?
What is the density of K1Pb1Tl2?
How many polymorphs of K1Pb1Tl2 are known?
What elements does K1Pb1Tl2 contain?
Where does the data for K1Pb1Tl2 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Unlike the highly stable and widely utilized photovoltaic material CsPbBr3, K1Pb1Tl2 lacks the robust thermodynamic profile necessary for standard device integration. While siblings like CsSnI3 are actively researched for their optoelectronic properties, K1Pb1Tl2 remains a theoretical curiosity due to its semimetallic nature and lack of structural stability.
Related Compounds
Other Halide Perovskite Photovoltaics in the database.
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).
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