SrCaMn2O6
SrCaMn2O6 is a metastable semiconducting oxide composed of strontium, calcium, and manganese.
About SrCaMn2O6
SrCaMn2O6 is a complex oxide featuring a strontium and calcium cation framework integrated with manganese. As a semiconducting material, it offers unique electronic properties that make it a subject of interest for fundamental solid-state physics and materials science research.
Although it is classified as a metastable phase, the compound has been identified across multiple structural databases. Its existence in various configurations suggests a rich structural landscape that warrants further investigation into its synthesis and potential functional utility.
Key Properties
Cross-validated computational properties for SrCaMn2O6, 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 SrCaMn2O6. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for SrCaMn2O6, 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. |
|---|---|---|---|---|---|
| Pmc21 (No. 26) | orthorhombic | 0.37 | 0.0263 | -2.503 | — |
| Amm2 (No. 38) | orthorhombic | 0.07 | 0.0394 | -2.490 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0432 | -2.486 | — |
| I-42m (No. 121) | tetragonal | 0.00 | 0.0612 | -7.630 | 4.93 |
| Pmc21 (No. 26) | orthorhombic | 0.56 | 0.0630 | -7.629 | 4.86 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0837 | -7.608 | 4.90 |
| Pmm2 (No. 25) | orthorhombic | 0.21 | 0.0886 | -7.603 | 4.92 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0896 | -7.602 | 4.85 |
| I-42m (No. 121) | tetragonal | — | — | — | 5.38 |
| I-42m (No. 121) | tetragonal | — | — | — | 4.93 |
| Pmc21 (No. 26) | orthorhombic | — | — | — | 4.86 |
| Pmm2 (No. 25) | orthorhombic | — | — | — | 5.32 |
Applications
Where SrCaMn2O6 is used.
Frequently Asked Questions
Common questions about SrCaMn2O6, answered from cross-validated data.
What is SrCaMn2O6?
SrCaMn2O6 is a metastable semiconducting oxide composed of strontium, calcium, and manganese.
What is SrCaMn2O6 used for?
What is the band gap of SrCaMn2O6?
Is SrCaMn2O6 a metal, semiconductor, or insulator?
Is SrCaMn2O6 thermodynamically stable?
What is the crystal structure of SrCaMn2O6?
What is the density of SrCaMn2O6?
How many polymorphs of SrCaMn2O6 are known?
What elements does SrCaMn2O6 contain?
Where does the data for SrCaMn2O6 come from?
How It Compares
As a specialized oxide, SrCaMn2O6 represents a distinct structural arrangement within the broader family of alkaline earth manganese oxides. Its metastable nature highlights the complexity of phase formation in this chemical space, setting it apart as a unique target for synthesis studies compared to more common, thermodynamically stable oxide phases.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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