O40P4Sb20
O40P4Sb20 is a complex, wide-gap insulating oxide containing antimony and phosphorus that is theoretically stable enough for potential synthesis.
About O40P4Sb20
O40P4Sb20 is a complex inorganic compound composed of oxygen, phosphorus, and antimony. As a wide-gap insulating material, it exhibits distinct electronic properties that distinguish it from metallic or semiconducting oxides.
This compound is considered near-hull in terms of thermodynamic stability, suggesting that it is a viable candidate for experimental synthesis. Its existence across multiple structural databases highlights its significance as a subject of interest in solid-state chemistry.
Key Properties
Cross-validated computational properties for O40P4Sb20, 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 O40P4Sb20, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 3.20 | 0.0069 | -6.692 | 5.20 |
| P212121 (No. 19) | — | — | — | — | — |
| — | — | — | — | — | 4.25 |
Applications
Where O40P4Sb20 is used.
Frequently Asked Questions
Common questions about O40P4Sb20, answered from cross-validated data.
What is O40P4Sb20?
O40P4Sb20 is a complex, wide-gap insulating oxide containing antimony and phosphorus that is theoretically stable enough for potential synthesis.
What is O40P4Sb20 used for?
What is the band gap of O40P4Sb20?
Is O40P4Sb20 a metal, semiconductor, or insulator?
Is O40P4Sb20 thermodynamically stable?
What is the crystal structure of O40P4Sb20?
What is the density of O40P4Sb20?
How many polymorphs of O40P4Sb20 are known?
What elements does O40P4Sb20 contain?
Where does the data for O40P4Sb20 come from?
How It Compares
As a specialized antimony-based phosphate, this compound represents a unique structural arrangement within its chemical family. It serves as a key example of how complex stoichiometry can lead to insulating behavior in non-metallic inorganic frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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