H20Al4Ca8F16O26P4
H20Al4Ca8F16O26P4 is a complex, insulating crystalline compound containing aluminum, calcium, fluorine, and phosphorus that is theoretically stable enough to warrant synthesis efforts.
About H20Al4Ca8F16O26P4
H20Al4Ca8F16O26P4 is a complex inorganic compound characterized by its wide-gap insulating electronic profile. Its intricate structural arrangement, involving aluminum, calcium, fluorine, and phosphorus, highlights the diversity of polyatomic crystalline frameworks. As a near-hull material, this compound is considered a promising candidate for experimental synthesis. Its stability suggests it could occupy a unique niche in materials research, particularly where specific insulating properties are required for advanced technical applications.
Key Properties
Cross-validated computational properties for H20Al4Ca8F16O26P4, 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 H20Al4Ca8F16O26P4, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 5.42 | 0.0221 | -6.320 | 2.59 |
| — | — | — | — | — | 2.61 |
| — | — | — | — | — | 2.61 |
| No. 0 | unknown | — | — | — | 1.34 |
| — | — | — | — | — | 2.61 |
Applications
Where H20Al4Ca8F16O26P4 is used.
Frequently Asked Questions
Common questions about H20Al4Ca8F16O26P4, answered from cross-validated data.
What is H20Al4Ca8F16O26P4?
H20Al4Ca8F16O26P4 is a complex, insulating crystalline compound containing aluminum, calcium, fluorine, and phosphorus that is theoretically stable enough to warrant synthesis efforts.
What is H20Al4Ca8F16O26P4 used for?
What is the band gap of H20Al4Ca8F16O26P4?
Is H20Al4Ca8F16O26P4 a metal, semiconductor, or insulator?
Is H20Al4Ca8F16O26P4 thermodynamically stable?
What is the crystal structure of H20Al4Ca8F16O26P4?
What is the density of H20Al4Ca8F16O26P4?
How many polymorphs of H20Al4Ca8F16O26P4 are known?
What elements does H20Al4Ca8F16O26P4 contain?
Where does the data for H20Al4Ca8F16O26P4 come from?
How It Compares
As a specialized inorganic framework, this compound represents a distinct structural arrangement within the broader landscape of complex phosphates. While it currently stands as a unique entry in this dataset, its thermodynamic proximity to the stability hull positions it as a significant subject for future investigation compared to more common or highly unstable mineral-like phases.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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