Ca2Rb2Sb2
Ca2Rb2Sb2 is a stable, semiconducting crystalline compound formed from calcium, rubidium, and antimony.
About Ca2Rb2Sb2
Ca2Rb2Sb2 is a complex ternary compound composed of calcium, rubidium, and antimony. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within its chemical system.
This material exhibits semiconducting electronic characteristics, making it an interesting candidate for fundamental studies in solid-state physics. Its existence across multiple databases highlights its significance as a well-defined crystalline phase.
Key Properties
Cross-validated computational properties for Ca2Rb2Sb2, 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 Ca2Rb2Sb2, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 1.50 | 0.0000 | -3.235 | 3.32 |
| — | — | — | — | — | 3.28 |
| P4/nmm (No. 129) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ca2Rb2Sb2, answered from cross-validated data.
What is Ca2Rb2Sb2?
Ca2Rb2Sb2 is a stable, semiconducting crystalline compound formed from calcium, rubidium, and antimony.
What is the band gap of Ca2Rb2Sb2?
Is Ca2Rb2Sb2 a metal, semiconductor, or insulator?
Is Ca2Rb2Sb2 thermodynamically stable?
What is the crystal structure of Ca2Rb2Sb2?
What is the density of Ca2Rb2Sb2?
How many polymorphs of Ca2Rb2Sb2 are known?
What elements does Ca2Rb2Sb2 contain?
Where does the data for Ca2Rb2Sb2 come from?
How It Compares
As a unique ternary phase, Ca2Rb2Sb2 occupies a distinct position in materials research, serving as a representative example of how alkali and alkaline-earth metals integrate with pnictogens to form stable semiconducting architectures.
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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