H12K4N4O12P4
H12K4N4O12P4 is a stable, wide-band-gap insulating material composed of hydrogen, potassium, nitrogen, oxygen, and phosphorus.
About H12K4N4O12P4
H12K4N4O12P4 is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a material residing on the convex hull, it exhibits a robust structural arrangement that makes it a significant subject for fundamental materials research.
Its wide-band-gap profile suggests potential utility in applications requiring stable dielectric properties or specialized chemical environments. With multiple reported structures across research databases, this compound serves as a key reference point for understanding complex phosphate-based frameworks.
Key Properties
Cross-validated computational properties for H12K4N4O12P4, 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 H12K4N4O12P4, 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 | 4.83 | 0.0000 | -6.151 | 2.04 |
| P21/c (No. 14) | monoclinic | 4.60 | 0.0708 | -6.080 | 2.04 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 2.00 |
Applications
Where H12K4N4O12P4 is used.
Frequently Asked Questions
Common questions about H12K4N4O12P4, answered from cross-validated data.
What is H12K4N4O12P4?
H12K4N4O12P4 is a stable, wide-band-gap insulating material composed of hydrogen, potassium, nitrogen, oxygen, and phosphorus.
What is H12K4N4O12P4 used for?
What is the band gap of H12K4N4O12P4?
Is H12K4N4O12P4 a metal, semiconductor, or insulator?
Is H12K4N4O12P4 thermodynamically stable?
What is the crystal structure of H12K4N4O12P4?
What is the density of H12K4N4O12P4?
How many polymorphs of H12K4N4O12P4 are known?
What elements does H12K4N4O12P4 contain?
Where does the data for H12K4N4O12P4 come from?
How It Compares
As a thermodynamically stable phase, this compound represents a well-defined structural configuration within its chemical family, serving as a benchmark for the stability of similar polyatomic 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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