Bi4I24Tl12
This complex inorganic compound consists of bismuth, iodine, and thallium. It is primarily utilized in specialized materials science research, particularly in the study of solid-state chemistry and the development of advanced electronic or optical materials.
Key Properties
Cross-validated computational properties for Bi4I24Tl12, 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 Bi4I24Tl12, 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 | 2.51 | 0.0091 | -2.832 | 5.98 |
| — | — | — | — | — | 5.88 |
| — | — | — | — | — | 5.88 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where Bi4I24Tl12 is used.
Frequently Asked Questions
Common questions about Bi4I24Tl12, answered from cross-validated data.
What is Bi4I24Tl12?
This complex inorganic compound consists of bismuth, iodine, and thallium. It is primarily utilized in specialized materials science research, particularly in the study of solid-state chemistry and the development of advanced electronic or optical materials.
What is Bi4I24Tl12 used for?
What is the band gap of Bi4I24Tl12?
Is Bi4I24Tl12 a metal, semiconductor, or insulator?
Is Bi4I24Tl12 thermodynamically stable?
What is the crystal structure of Bi4I24Tl12?
What is the density of Bi4I24Tl12?
How many polymorphs of Bi4I24Tl12 are known?
What elements does Bi4I24Tl12 contain?
Where does the data for Bi4I24Tl12 come from?
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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