As4Li4Mo4O24
As4Li4Mo4O24 is a semiconducting quaternary oxide composed of arsenic, lithium, and molybdenum that is considered a viable target for laboratory synthesis.
About As4Li4Mo4O24
As4Li4Mo4O24 is a complex quaternary oxide containing arsenic, lithium, and molybdenum. Its electronic structure characterizes it as a semiconductor, positioning it as a functional material for potential optoelectronic or electrochemical applications.
As a near-hull compound, it is considered thermodynamically accessible for experimental synthesis. The existence of multiple reported structural variations across databases underscores its significance as a candidate for further investigation in materials science.
Key Properties
Cross-validated computational properties for As4Li4Mo4O24, 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 As4Li4Mo4O24, 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 (No. 4) | monoclinic | 2.56 | 0.0219 | -7.171 | 3.82 |
| Pna21 (No. 33) | orthorhombic | 2.49 | 0.0327 | -7.160 | 4.17 |
| P21 (No. 4) | — | — | — | — | — |
| — | — | — | — | — | 4.17 |
| No. 0 | unknown | — | — | — | 2.02 |
| Pna21 (No. 33) | — | — | — | — | — |
| — | — | — | — | — | 3.40 |
Applications
Where As4Li4Mo4O24 is used.
Frequently Asked Questions
Common questions about As4Li4Mo4O24, answered from cross-validated data.
What is As4Li4Mo4O24?
As4Li4Mo4O24 is a semiconducting quaternary oxide composed of arsenic, lithium, and molybdenum that is considered a viable target for laboratory synthesis.
What is As4Li4Mo4O24 used for?
What is the band gap of As4Li4Mo4O24?
Is As4Li4Mo4O24 a metal, semiconductor, or insulator?
Is As4Li4Mo4O24 thermodynamically stable?
What is the crystal structure of As4Li4Mo4O24?
What is the density of As4Li4Mo4O24?
How many polymorphs of As4Li4Mo4O24 are known?
What elements does As4Li4Mo4O24 contain?
Where does the data for As4Li4Mo4O24 come from?
How It Compares
As a unique quaternary oxide, As4Li4Mo4O24 occupies a specialized niche in inorganic chemistry. Unlike simpler binary or ternary oxides, its complex stoichiometry allows for distinct structural arrangements that differentiate it from more common lithium-based electrolyte or cathode materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- 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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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