Ca2O6SbTb
Ca2O6SbTb is an insulating, complex oxide compound that exists in a metastable state, making it a subject of interest for fundamental materials science research.
About Ca2O6SbTb
Ca2O6SbTb is a complex inorganic compound characterized by its wide-band-gap insulating electronic profile. Its structural arrangement, which has been documented across multiple databases, suggests a specialized role in materials research where dielectric properties are of primary interest.
As a material that sits above the thermodynamic hull, this compound presents unique challenges and opportunities for synthesis and stabilization. Its existence in multiple reported structures highlights its significance as a subject for experimental investigation into metastable phases.
Key Properties
Cross-validated computational properties for Ca2O6SbTb, 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 Ca2O6SbTb, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 3.18 | 0.1667 | -7.166 | 5.23 |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | 5.48 |
Applications
Where Ca2O6SbTb is used.
Frequently Asked Questions
Common questions about Ca2O6SbTb, answered from cross-validated data.
What is Ca2O6SbTb?
Ca2O6SbTb is an insulating, complex oxide compound that exists in a metastable state, making it a subject of interest for fundamental materials science research.
What is Ca2O6SbTb used for?
What is the band gap of Ca2O6SbTb?
Is Ca2O6SbTb a metal, semiconductor, or insulator?
Is Ca2O6SbTb thermodynamically stable?
What is the crystal structure of Ca2O6SbTb?
What is the density of Ca2O6SbTb?
How many polymorphs of Ca2O6SbTb are known?
What elements does Ca2O6SbTb contain?
Where does the data for Ca2O6SbTb come from?
How It Compares
As a unique inorganic compound, Ca2O6SbTb serves as an exploratory candidate within the broader landscape of calcium-antimony-terbium oxides, representing a distinct structural configuration that warrants further study compared to more conventional, thermodynamically stable oxide phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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