As3In2K2
As3In2K2 is a stable, semiconducting ternary compound consisting of arsenic, indium, and potassium.
About As3In2K2
As3In2K2 is a ternary inorganic compound composed of arsenic, indium, and potassium. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions. Its electronic character is defined as semiconducting, making it a subject of interest for fundamental solid-state research. The material is characterized by its specific stoichiometric balance, which influences its electronic band structure. Its stability suggests potential for synthesis and integration into experimental electronic devices where controlled semiconducting behavior is required.
Key Properties
Cross-validated computational properties for As3In2K2, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of As3In2K2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for As3In2K2, 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 | 1.00 | 0.0000 | -3.513 | 4.27 |
| No. 0 | unknown | — | — | — | 1.09 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where As3In2K2 is used.
Frequently Asked Questions
Common questions about As3In2K2, answered from cross-validated data.
What is As3In2K2?
As3In2K2 is a stable, semiconducting ternary compound consisting of arsenic, indium, and potassium.
What is As3In2K2 used for?
What is the band gap of As3In2K2?
Is As3In2K2 a metal, semiconductor, or insulator?
Is As3In2K2 thermodynamically stable?
What is the crystal structure of As3In2K2?
What is the density of As3In2K2?
How many polymorphs of As3In2K2 are known?
What elements does As3In2K2 contain?
Where does the data for As3In2K2 come from?
How It Compares
As3In2K2 occupies a unique position as a stable ternary semiconducting phase. Without direct structural siblings in its immediate class, it serves as a distinct reference point for investigating the interplay between alkali metals, post-transition metals, and pnictogens in complex crystal lattices.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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