Bi12I4In8Se28
Bi12I4In8Se28 is a complex semiconducting compound containing bismuth, iodine, indium, and selenium that is considered a viable target for synthesis.
About Bi12I4In8Se28
Bi12I4In8Se28 is a complex quaternary compound composed of bismuth, iodine, indium, and selenium. Its semiconducting electronic character suggests potential utility in specialized electronic or optical devices where specific band-structure engineering is required.
As a near-hull material, it is considered thermodynamically accessible and likely synthesizable under controlled laboratory conditions. The existence of multiple reported structures across databases highlights its significance as a candidate for further experimental investigation in materials science.
Key Properties
Cross-validated computational properties for Bi12I4In8Se28, 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 Bi12I4In8Se28, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.15 | 0.0123 | -4.039 | 6.48 |
| — | — | — | — | — | 6.36 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Bi12I4In8Se28 is used.
Frequently Asked Questions
Common questions about Bi12I4In8Se28, answered from cross-validated data.
What is Bi12I4In8Se28?
Bi12I4In8Se28 is a complex semiconducting compound containing bismuth, iodine, indium, and selenium that is considered a viable target for synthesis.
What is Bi12I4In8Se28 used for?
What is the band gap of Bi12I4In8Se28?
Is Bi12I4In8Se28 a metal, semiconductor, or insulator?
Is Bi12I4In8Se28 thermodynamically stable?
What is the crystal structure of Bi12I4In8Se28?
What is the density of Bi12I4In8Se28?
How many polymorphs of Bi12I4In8Se28 are known?
What elements does Bi12I4In8Se28 contain?
Where does the data for Bi12I4In8Se28 come from?
How It Compares
As a unique quaternary chalcogenide iodide, Bi12I4In8Se28 occupies a specialized niche within the broader landscape of complex inorganic semiconductors, offering a distinct elemental combination that differentiates it from simpler binary or ternary systems.
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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