Ca2MnO6W
Ca2MnO6W is a thermodynamically stable semiconducting quaternary oxide composed of calcium, manganese, oxygen, and tungsten.
About Ca2MnO6W
Ca2MnO6W is a complex quaternary oxide that sits on the convex hull, indicating high thermodynamic stability. Its electronic character as a semiconductor makes it a candidate for specialized functional material applications where precise electronic control is required.
With multiple reported structures, this compound represents a versatile building block in solid-state chemistry. Its unique combination of calcium, manganese, and tungsten suggests potential for complex magnetic or catalytic behaviors often found in transition metal-based oxides.
Key Properties
Cross-validated computational properties for Ca2MnO6W, 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 Ca2MnO6W, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.18 | 0.0000 | -8.359 | 5.49 |
| R3 (No. 146) | trigonal | 2.65 | 0.0206 | -8.339 | 5.33 |
| P1 (No. 1) | triclinic | 2.52 | 0.0222 | -8.337 | 5.34 |
| — | — | — | — | — | 4.85 |
| — | — | — | — | — | — |
Applications
Where Ca2MnO6W is used.
Frequently Asked Questions
Common questions about Ca2MnO6W, answered from cross-validated data.
What is Ca2MnO6W?
Ca2MnO6W is a thermodynamically stable semiconducting quaternary oxide composed of calcium, manganese, oxygen, and tungsten.
What is Ca2MnO6W used for?
What is the band gap of Ca2MnO6W?
Is Ca2MnO6W a metal, semiconductor, or insulator?
Is Ca2MnO6W thermodynamically stable?
What is the crystal structure of Ca2MnO6W?
What is the density of Ca2MnO6W?
How many polymorphs of Ca2MnO6W are known?
What elements does Ca2MnO6W contain?
Where does the data for Ca2MnO6W come from?
How It Compares
As a thermodynamically stable quaternary oxide, Ca2MnO6W serves as a distinct example of how multi-element integration can stabilize semiconducting phases. It occupies a unique structural space within the broader landscape of complex transition metal oxides, offering a stable platform for exploring electronic phenomena that are often difficult to achieve in simpler binary systems.
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).
- alexandria — Data from alexandria.
Analyze Ca2MnO6W in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →