As2Li2Mo4O18
As2Li2Mo4O18 is a semiconducting lithium molybdenum arsenate compound that is considered thermodynamically accessible for laboratory synthesis.
About As2Li2Mo4O18
As2Li2Mo4O18 is a complex quaternary oxide incorporating lithium, molybdenum, and arsenic. As a semiconducting material, it exhibits electronic properties that distinguish it from simple binary oxides, positioning it as a candidate for specialized functional applications in solid-state chemistry.
Its status as a near-hull stable phase suggests that it is a viable target for experimental synthesis. The existence of multiple reported structures across databases highlights its structural diversity and the potential for tuning its properties through precise synthesis conditions.
Key Properties
Cross-validated computational properties for As2Li2Mo4O18, 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 As2Li2Mo4O18, 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. |
|---|---|---|---|---|---|
| Pmmn (No. 59) | orthorhombic | 2.60 | 0.0152 | -7.533 | 3.56 |
| — | — | — | — | — | 2.63 |
| Pmmn (No. 59) | — | — | — | — | — |
Applications
Where As2Li2Mo4O18 is used.
Frequently Asked Questions
Common questions about As2Li2Mo4O18, answered from cross-validated data.
What is As2Li2Mo4O18?
As2Li2Mo4O18 is a semiconducting lithium molybdenum arsenate compound that is considered thermodynamically accessible for laboratory synthesis.
What is As2Li2Mo4O18 used for?
What is the band gap of As2Li2Mo4O18?
Is As2Li2Mo4O18 a metal, semiconductor, or insulator?
Is As2Li2Mo4O18 thermodynamically stable?
What is the crystal structure of As2Li2Mo4O18?
What is the density of As2Li2Mo4O18?
How many polymorphs of As2Li2Mo4O18 are known?
What elements does As2Li2Mo4O18 contain?
Where does the data for As2Li2Mo4O18 come from?
How It Compares
As a unique quaternary oxide, As2Li2Mo4O18 serves as a distinct representative of complex lithium-molybdenum-arsenate systems. While it lacks direct siblings in this specific classification, it contributes to the broader understanding of how polyanionic frameworks can stabilize transition metal centers in semiconducting materials.
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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