Ca3Mn4O12Sr
Ca3Mn4O12Sr is a metastable semiconducting oxide composed of calcium, strontium, manganese, and oxygen.
About Ca3Mn4O12Sr
Ca3Mn4O12Sr is a complex oxide featuring a unique arrangement of calcium, strontium, manganese, and oxygen atoms. As a semiconducting material, it exhibits electronic properties that are highly sensitive to its specific atomic configuration and structural symmetry.
Because this compound is metastable, it represents a fascinating subject for synthesis studies and solid-state chemistry research. Its existence across multiple reported structures suggests a rich landscape of phase stability that researchers continue to investigate for potential electronic applications.
Key Properties
Cross-validated computational properties for Ca3Mn4O12Sr, aggregated across 2 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Ca3Mn4O12Sr. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for Ca3Mn4O12Sr, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for Ca3Mn4O12Sr, 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. |
|---|---|---|---|---|---|
| Pm (No. 6) | monoclinic | 0.00 | 0.0489 | -7.666 | 4.63 |
| P-1 (No. 2) | triclinic | 0.28 | 0.0489 | -7.666 | 4.60 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.1033 | -7.611 | 4.62 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.1055 | -7.609 | 4.58 |
| P4/mmm (No. 123) | tetragonal | — | — | 0.002 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Ca3Mn4O12Sr.
Applications
Where Ca3Mn4O12Sr is used.
Frequently Asked Questions
Common questions about Ca3Mn4O12Sr, answered from cross-validated data.
What is Ca3Mn4O12Sr?
Ca3Mn4O12Sr is a metastable semiconducting oxide composed of calcium, strontium, manganese, and oxygen.
What is Ca3Mn4O12Sr used for?
What is the band gap of Ca3Mn4O12Sr?
Is Ca3Mn4O12Sr a metal, semiconductor, or insulator?
Is Ca3Mn4O12Sr thermodynamically stable?
What is the crystal structure of Ca3Mn4O12Sr?
What is the density of Ca3Mn4O12Sr?
How many polymorphs of Ca3Mn4O12Sr are known?
How is Ca3Mn4O12Sr synthesized?
What elements does Ca3Mn4O12Sr contain?
Where does the data for Ca3Mn4O12Sr come from?
How It Compares
As a specialized oxide, this compound occupies a distinct niche in materials science. Without direct structural siblings, its role is defined by its specific stoichiometry and the interplay between its alkaline earth constituents and manganese, which distinguishes it from more common, highly stable perovskite-related oxides.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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