Ca4Mn2O12Sb2
Ca4Mn2O12Sb2 is a semiconducting complex oxide that is thermodynamically stable and represents a promising target for experimental materials synthesis.
About Ca4Mn2O12Sb2
Ca4Mn2O12Sb2 is a complex oxide featuring a combination of calcium, manganese, oxygen, and antimony. Its semiconducting electronic character makes it an intriguing candidate for investigation in functional material systems where precise charge transport properties are required.
As a near-hull phase, this compound is considered thermodynamically stable enough to be a viable target for experimental synthesis. Its presence across multiple structural databases highlights its significance as a subject for ongoing computational and materials science exploration.
Key Properties
Cross-validated computational properties for Ca4Mn2O12Sb2, 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 Ca4Mn2O12Sb2, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.47 | 0.0051 | -7.308 | 4.81 |
| P21/c (No. 14) | monoclinic | 0.82 | 0.0128 | -7.301 | 4.83 |
| P21/m (No. 11) | monoclinic | 0.00 | 0.0158 | -7.298 | 4.78 |
| — | — | — | — | — | 4.10 |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where Ca4Mn2O12Sb2 is used.
Frequently Asked Questions
Common questions about Ca4Mn2O12Sb2, answered from cross-validated data.
What is Ca4Mn2O12Sb2?
Ca4Mn2O12Sb2 is a semiconducting complex oxide that is thermodynamically stable and represents a promising target for experimental materials synthesis.
What is Ca4Mn2O12Sb2 used for?
What is the band gap of Ca4Mn2O12Sb2?
Is Ca4Mn2O12Sb2 a metal, semiconductor, or insulator?
Is Ca4Mn2O12Sb2 thermodynamically stable?
What is the crystal structure of Ca4Mn2O12Sb2?
What is the density of Ca4Mn2O12Sb2?
How many polymorphs of Ca4Mn2O12Sb2 are known?
What elements does Ca4Mn2O12Sb2 contain?
Where does the data for Ca4Mn2O12Sb2 come from?
How It Compares
As a unique complex oxide, Ca4Mn2O12Sb2 occupies a specialized niche within the landscape of quaternary metal oxides. Unlike more common binary or ternary oxides, this compound leverages its specific elemental composition to achieve a semiconducting state, positioning it as a distinct entry for researchers looking to expand the library of synthesizable complex functional 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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