Mo12O72S12
Mo12O72S12 is a stable, insulating inorganic compound composed of molybdenum, oxygen, and sulfur.
About Mo12O72S12
Mo12O72S12 is a complex inorganic compound characterized by its insulating electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of molybdenum, oxygen, and sulfur atoms.
This material is of significant interest to researchers investigating specialized structural frameworks. Its stability suggests potential for integration into advanced chemical systems where reliable, long-term structural integrity is required.
Key Properties
Cross-validated computational properties for Mo12O72S12, 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 Mo12O72S12, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 3.08 | 0.0000 | -7.382 | 3.09 |
| Pna21 (No. 33) | orthorhombic | 3.12 | 0.0074 | -7.375 | 3.22 |
| C2/c (No. 15) | monoclinic | — | — | — | 0.41 |
| C2/c (No. 15) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Mo12O72S12, answered from cross-validated data.
What is Mo12O72S12?
Mo12O72S12 is a stable, insulating inorganic compound composed of molybdenum, oxygen, and sulfur.
What is the band gap of Mo12O72S12?
Is Mo12O72S12 a metal, semiconductor, or insulator?
Is Mo12O72S12 thermodynamically stable?
What is the crystal structure of Mo12O72S12?
What is the density of Mo12O72S12?
How many polymorphs of Mo12O72S12 are known?
What elements does Mo12O72S12 contain?
Where does the data for Mo12O72S12 come from?
How It Compares
As a unique structural entity, Mo12O72S12 serves as a distinct point of reference within its chemical family, representing a specialized configuration of molybdenum-based chalcogenide-oxide materials.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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