Mo2O12Te2Zn2
Mo2O12Te2Zn2 is a wide-gap insulating quaternary oxide that is considered thermodynamically accessible for synthesis.
About Mo2O12Te2Zn2
Mo2O12Te2Zn2 is a complex quaternary oxide incorporating molybdenum, tellurium, zinc, and oxygen. As a wide-gap insulator, it exhibits electronic properties characteristic of highly stable dielectric materials, making it a focus for fundamental solid-state studies.
Its status as a near-hull stable compound suggests that it is a viable candidate for experimental synthesis. The existence of multiple reported structural variations across databases highlights its significance in ongoing materials discovery efforts.
Key Properties
Cross-validated computational properties for Mo2O12Te2Zn2, 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 Mo2O12Te2Zn2, 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. |
|---|---|---|---|---|---|
| P21212 (No. 18) | orthorhombic | 3.10 | 0.0134 | -6.758 | 5.09 |
| — | — | — | — | — | 4.45 |
| P21212 (No. 18) | — | — | — | — | — |
Applications
Where Mo2O12Te2Zn2 is used.
Frequently Asked Questions
Common questions about Mo2O12Te2Zn2, answered from cross-validated data.
What is Mo2O12Te2Zn2?
Mo2O12Te2Zn2 is a wide-gap insulating quaternary oxide that is considered thermodynamically accessible for synthesis.
What is Mo2O12Te2Zn2 used for?
What is the band gap of Mo2O12Te2Zn2?
Is Mo2O12Te2Zn2 a metal, semiconductor, or insulator?
Is Mo2O12Te2Zn2 thermodynamically stable?
What is the crystal structure of Mo2O12Te2Zn2?
What is the density of Mo2O12Te2Zn2?
How many polymorphs of Mo2O12Te2Zn2 are known?
What elements does Mo2O12Te2Zn2 contain?
Where does the data for Mo2O12Te2Zn2 come from?
How It Compares
As a complex oxide with a distinct elemental composition, this compound serves as a unique entry in the landscape of multinary materials. It represents a specialized structural configuration that provides researchers with a specific case study for understanding the interplay between molybdenum-based coordination environments and zinc-tellurium frameworks.
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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