BiKSe2
BiKSe2 is a metastable semiconducting material investigated for its potential utility in optoelectronic and photovoltaic technologies.
About BiKSe2
BiKSe2 is a semiconducting compound that occupies a distinct space within the broader landscape of perovskite-related materials. As a metastable phase, it represents a specialized structural configuration that researchers study to understand the limits of stability and electronic performance in complex chalcogenide systems.
Its utility is primarily centered on its potential as a functional semiconductor in advanced optoelectronic devices. By investigating its electronic properties, scientists aim to leverage its unique composition to overcome limitations found in more traditional photovoltaic materials.
Key Properties
Cross-validated computational properties for BiKSe2, 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 BiKSe2, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 0.81 | 0.0543 | -3.909 | 5.49 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.1756 | -3.788 | 5.67 |
| P4/mmm (No. 123) | — | — | — | — | — |
| — | — | — | — | — | 5.35 |
| — | — | — | — | — | 5.35 |
Applications
Where BiKSe2 is used.
Frequently Asked Questions
Common questions about BiKSe2, answered from cross-validated data.
What is BiKSe2?
BiKSe2 is a metastable semiconducting material investigated for its potential utility in optoelectronic and photovoltaic technologies.
What is BiKSe2 used for?
What is the band gap of BiKSe2?
Is BiKSe2 a metal, semiconductor, or insulator?
Is BiKSe2 thermodynamically stable?
What is the crystal structure of BiKSe2?
What is the density of BiKSe2?
How many polymorphs of BiKSe2 are known?
What elements does BiKSe2 contain?
Where does the data for BiKSe2 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Unlike the highly studied and stable halide perovskites such as CsPbBr3 or CsSnI3, BiKSe2 is characterized by its metastable nature, which sets it apart from the more robust, widely utilized members of the class. While compounds like CsPbBr3 are favored for their established performance in solar cells, BiKSe2 serves as a critical subject for exploring alternative chemical spaces and unconventional structural motifs in semiconductor development.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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