Gd2H8N2O24P8
Gd2H8N2O24P8 is an insulating, complex gadolinium-based phosphate compound that is theoretically predicted to be synthesizable.
About Gd2H8N2O24P8
Gd2H8N2O24P8 is a complex inorganic compound characterized by its insulating electronic behavior. Its structural composition and electronic properties suggest it functions as a wide-band-gap material, making it a subject of interest for specialized solid-state research.
As a near-hull phase, this compound is considered likely to be synthesizable under appropriate laboratory conditions. Its unique arrangement of gadolinium, nitrogen, oxygen, and phosphorus atoms positions it as a distinct candidate for exploring complex dielectric or optical properties in advanced materials science.
Key Properties
Cross-validated computational properties for Gd2H8N2O24P8, 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 Gd2H8N2O24P8, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.47 | 0.0036 | -7.704 | 3.23 |
| C2/c (No. 15) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.83 |
Applications
Where Gd2H8N2O24P8 is used.
Frequently Asked Questions
Common questions about Gd2H8N2O24P8, answered from cross-validated data.
What is Gd2H8N2O24P8?
Gd2H8N2O24P8 is an insulating, complex gadolinium-based phosphate compound that is theoretically predicted to be synthesizable.
What is Gd2H8N2O24P8 used for?
What is the band gap of Gd2H8N2O24P8?
Is Gd2H8N2O24P8 a metal, semiconductor, or insulator?
Is Gd2H8N2O24P8 thermodynamically stable?
What is the crystal structure of Gd2H8N2O24P8?
What is the density of Gd2H8N2O24P8?
How many polymorphs of Gd2H8N2O24P8 are known?
What elements does Gd2H8N2O24P8 contain?
Where does the data for Gd2H8N2O24P8 come from?
How It Compares
As a unique inorganic phase with no direct structural siblings in this dataset, Gd2H8N2O24P8 represents a specialized niche within complex gadolinium-based phosphates. Its stability profile suggests it occupies a distinct energetic landscape compared to more common, highly stable binary or ternary oxides.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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