As44Rb12
As44Rb12 is a stable, semiconducting binary compound formed from rubidium and arsenic.
About As44Rb12
As44Rb12 is a specialized semiconducting compound composed of arsenic and rubidium. As a thermodynamically stable phase residing on the convex hull, it represents a well-defined structural arrangement within the binary arsenide system.
Its electronic character suggests potential utility in niche semiconductor applications where specific stoichiometry and stable bonding are required. The material is characterized by its structural diversity, with multiple reported configurations documented across various research databases.
Key Properties
Cross-validated computational properties for As44Rb12, 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 As44Rb12, 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. |
|---|---|---|---|---|---|
| Pbcn (No. 60) | orthorhombic | 1.55 | 0.0000 | -4.147 | 3.77 |
| — | — | — | — | — | 3.57 |
| Pbcn (No. 60) | — | — | — | — | — |
| — | — | — | — | — | 3.53 |
| — | — | — | — | — | 3.46 |
Applications
Where As44Rb12 is used.
Frequently Asked Questions
Common questions about As44Rb12, answered from cross-validated data.
What is As44Rb12?
As44Rb12 is a stable, semiconducting binary compound formed from rubidium and arsenic.
What is As44Rb12 used for?
What is the band gap of As44Rb12?
Is As44Rb12 a metal, semiconductor, or insulator?
Is As44Rb12 thermodynamically stable?
What is the crystal structure of As44Rb12?
What is the density of As44Rb12?
How many polymorphs of As44Rb12 are known?
What elements does As44Rb12 contain?
Where does the data for As44Rb12 come from?
How It Compares
As a unique binary arsenide, As44Rb12 serves as a distinct example of how alkali metals and pnictogens can form stable, semiconducting frameworks, providing a reference point for understanding the structural complexity possible in this chemical space.
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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