As4B2K6
As4B2K6 is a semiconducting ternary compound of potassium, boron, and arsenic that is considered likely to be synthesizable.
About As4B2K6
As4B2K6 is a complex ternary inorganic compound composed of potassium, boron, and arsenic. Its electronic character is defined as semiconducting, positioning it as a material of interest for specialized electronic or optoelectronic applications where specific band structures are required.
As a near-hull material, this compound is considered likely synthesizable under appropriate experimental conditions. Its presence across multiple structural databases suggests significant interest in its stability and potential for integration into advanced materials research.
Key Properties
Cross-validated computational properties for As4B2K6, aggregated across 4 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 As4B2K6, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 1.31 | 0.0111 | -3.565 | 2.40 |
| C2/c (No. 15) | — | 1.32 | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 1.81 |
Applications
Where As4B2K6 is used.
Frequently Asked Questions
Common questions about As4B2K6, answered from cross-validated data.
What is As4B2K6?
As4B2K6 is a semiconducting ternary compound of potassium, boron, and arsenic that is considered likely to be synthesizable.
What is As4B2K6 used for?
What is the band gap of As4B2K6?
Is As4B2K6 a metal, semiconductor, or insulator?
Is As4B2K6 thermodynamically stable?
What is the crystal structure of As4B2K6?
What is the density of As4B2K6?
How many polymorphs of As4B2K6 are known?
What elements does As4B2K6 contain?
Where does the data for As4B2K6 come from?
How It Compares
As a unique ternary phase, As4B2K6 represents an intriguing structural arrangement within the potassium-boron-arsenic system. While it currently stands as a distinct entry without direct structural siblings in this specific class, its thermodynamic proximity to the hull makes it a noteworthy candidate for further experimental investigation compared to less stable theoretical phases.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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