SrCaMn2O6

SrCaMn2O6 is a metastable semiconducting oxide composed of strontium, calcium, and manganese.

CaMnOSr
Crystal structure of SrCaMn2O6 (tetragonal, I-42m (No. 121))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for SrCaMn2O6, aggregated across 3 databases.

Band Gap

0.21–0.56 eV
Range across DFT structures

Energy Above Hull

0.061 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

17
3 databases, 6 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for SrCaMn2O6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
I-42m (No. 121)tetragonal0.000.0612-7.6304.93
Pmc21 (No. 26)orthorhombic0.560.0630-7.6294.86
P4/mmm (No. 123)tetragonal0.000.0837-7.6084.90
Pmm2 (No. 25)orthorhombic0.210.0886-7.6034.92
P4/mmm (No. 123)tetragonal0.000.0896-7.6024.85
Pmc21 (No. 26)Orthorhombic5.17
Pmm2 (No. 25)Orthorhombic4.92
Pmc21 (No. 26)Orthorhombic4.86
I-42m (No. 121)Tetragonal5.38
Amm2 (No. 38)
Pmc21 (No. 26)Orthorhombic5.41
I-42m (No. 121)Tetragonal5.18
Uses

Applications

Where SrCaMn2O6 is used.

Solid-state researchMaterials science explorationSemiconductor development
Reference

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.

More questions
What is SrCaMn2O6 used for?
SrCaMn2O6 is used in solid-state research, materials science exploration, and semiconductor development.
What is the band gap of SrCaMn2O6?
SrCaMn2O6 has a DFT-computed band gap of 0.21–0.56 eV across 17 reported structures.
Is SrCaMn2O6 a metal, semiconductor, or insulator?
With a band gap up to 0.56 eV it is a semiconductor.
Is SrCaMn2O6 thermodynamically stable?
SrCaMn2O6 has a lowest energy above hull of 0.061 eV/atom (metastable).
What is the crystal structure of SrCaMn2O6?
The lowest-energy reported polymorph of SrCaMn2O6 is tetragonal symmetry, space group I-42m (No. 121).
What is the density of SrCaMn2O6?
The computed density of the ground-state structure of SrCaMn2O6 is 4.93 g/cm³.
How many polymorphs of SrCaMn2O6 are known?
17 structures of SrCaMn2O6 are reported across 3 databases, spanning 6 distinct space groups.
What elements does SrCaMn2O6 contain?
SrCaMn2O6 contains Ca, Mn, O, and Sr (4 elements).
Where does the data for SrCaMn2O6 come from?
SrCaMn2O6 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

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
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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