Ca2O6Pt2
Ca2O6Pt2 is a semiconducting calcium platinum oxide that is considered a viable candidate for experimental synthesis.
About Ca2O6Pt2
Ca2O6Pt2 is a complex ternary oxide composed of calcium, oxygen, and platinum. Its semiconducting electronic character suggests potential utility in specialized electronic or catalytic applications where controlled charge transport is required.
As a near-hull material, this compound is considered thermodynamically stable enough to be a target for experimental synthesis. The existence of multiple reported structural variations indicates that it is a subject of significant interest within computational materials databases.
Key Properties
Cross-validated computational properties for Ca2O6Pt2, 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 Ca2O6Pt2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 1.30 | 0.0105 | -6.576 | 8.18 |
| — | — | — | — | — | 6.87 |
| Cmcm (No. 63) | — | — | — | — | — |
| — | — | — | — | — | 5.01 |
| Cmcm (No. 63) | — | — | — | — | — |
Applications
Where Ca2O6Pt2 is used.
Frequently Asked Questions
Common questions about Ca2O6Pt2, answered from cross-validated data.
What is Ca2O6Pt2?
Ca2O6Pt2 is a semiconducting calcium platinum oxide that is considered a viable candidate for experimental synthesis.
What is Ca2O6Pt2 used for?
What is the band gap of Ca2O6Pt2?
Is Ca2O6Pt2 a metal, semiconductor, or insulator?
Is Ca2O6Pt2 thermodynamically stable?
What is the crystal structure of Ca2O6Pt2?
What is the density of Ca2O6Pt2?
How many polymorphs of Ca2O6Pt2 are known?
What elements does Ca2O6Pt2 contain?
Where does the data for Ca2O6Pt2 come from?
How It Compares
As a unique ternary oxide, Ca2O6Pt2 occupies a distinct niche in materials science. Unlike more common binary oxides, its specific stoichiometry and electronic properties position it as a specialized candidate for exploring the intersection of noble metal chemistry and alkaline earth oxide frameworks.
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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