As28Cs8Na4
As28Cs8Na4 is a thermodynamically stable, semiconducting ternary compound composed of arsenic, cesium, and sodium.
About As28Cs8Na4
As28Cs8Na4 is a complex ternary arsenide that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. As a semiconducting material, it offers distinct electronic characteristics that differentiate it from simple binary metal arsenides.
Its structural complexity is highlighted by the existence of multiple reported configurations within scientific databases. This compound serves as an intriguing subject for researchers investigating the interplay between alkali metal cations and arsenic-based frameworks in solid-state chemistry.
Key Properties
Cross-validated computational properties for As28Cs8Na4, 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 As28Cs8Na4, 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 | 1.44 | 0.0000 | -3.930 | 4.00 |
| — | — | — | — | — | 3.83 |
| No. 0 | unknown | — | — | — | 1.04 |
Frequently Asked Questions
Common questions about As28Cs8Na4, answered from cross-validated data.
What is As28Cs8Na4?
As28Cs8Na4 is a thermodynamically stable, semiconducting ternary compound composed of arsenic, cesium, and sodium.
What is the band gap of As28Cs8Na4?
Is As28Cs8Na4 a metal, semiconductor, or insulator?
Is As28Cs8Na4 thermodynamically stable?
What is the crystal structure of As28Cs8Na4?
What is the density of As28Cs8Na4?
How many polymorphs of As28Cs8Na4 are known?
What elements does As28Cs8Na4 contain?
Where does the data for As28Cs8Na4 come from?
How It Compares
As a unique ternary compound, As28Cs8Na4 represents a specialized niche in materials science, standing apart from simpler binary arsenides by incorporating multiple alkali metal species to stabilize its complex anionic lattice.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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