Ga4K4O28P8
This compound is a complex phosphate material containing gallium and potassium. It is primarily studied for its structural properties in solid-state chemistry and potential utility in advanced materials research.
GaKOP
Overview
Key Properties
Cross-validated computational properties for Ga4K4O28P8, 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.
4.46 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Ga4K4O28P8, 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 | 4.46 | 0.0000 | -7.151 | 3.32 |
| — | — | — | — | — | 2.47 |
| P21/c (No. 14) | — | — | — | — | — |
Uses
Applications
Where Ga4K4O28P8 is used.
Solid-state chemistry researchMaterials science developmentCrystallographic studies
Reference
Frequently Asked Questions
Common questions about Ga4K4O28P8, answered from cross-validated data.
What is Ga4K4O28P8?
This compound is a complex phosphate material containing gallium and potassium. It is primarily studied for its structural properties in solid-state chemistry and potential utility in advanced materials research.
More questions
What is Ga4K4O28P8 used for?
Ga4K4O28P8 is used in solid-state chemistry research, materials science development, and crystallographic studies.
What is the band gap of Ga4K4O28P8?
Ga4K4O28P8 has a DFT-computed band gap of 4.46 eV across 3 reported structures.
Is Ga4K4O28P8 a metal, semiconductor, or insulator?
With a wide band gap up to 4.46 eV it is an insulator / wide-band-gap material.
Is Ga4K4O28P8 thermodynamically stable?
Yes — Ga4K4O28P8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ga4K4O28P8?
The lowest-energy reported polymorph of Ga4K4O28P8 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Ga4K4O28P8?
The computed density of the ground-state structure of Ga4K4O28P8 is 3.32 g/cm³.
How many polymorphs of Ga4K4O28P8 are known?
3 structures of Ga4K4O28P8 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ga4K4O28P8 contain?
Ga4K4O28P8 contains Ga, K, O, and P (4 elements).
Where does the data for Ga4K4O28P8 come from?
Ga4K4O28P8 data is cross-referenced from materials_project, omat24, aflow.
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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