Al4Fe4O20P4
This compound is a complex aluminum iron phosphate mineral. It is primarily studied for its structural characteristics and potential roles in geological or synthetic materials science contexts.
Overview
Key Properties
Cross-validated computational properties for Al4Fe4O20P4, 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.
0.52 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al4Fe4O20P4, 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 | 0.52 | 0.0000 | -8.047 | 3.04 |
| No. 0 | unknown | — | — | — | 0.99 |
| P21/c (No. 14) | — | — | — | — | — |
Uses
Applications
Where Al4Fe4O20P4 is used.
Geological researchMaterials science studiesCrystallographic analysis
Reference
Frequently Asked Questions
Common questions about Al4Fe4O20P4, answered from cross-validated data.
What is Al4Fe4O20P4?
This compound is a complex aluminum iron phosphate mineral. It is primarily studied for its structural characteristics and potential roles in geological or synthetic materials science contexts.
More questions
What is Al4Fe4O20P4 used for?
Al4Fe4O20P4 is used in geological research, materials science studies, and crystallographic analysis.
What is the band gap of Al4Fe4O20P4?
Al4Fe4O20P4 has a DFT-computed band gap of 0.52 eV across 3 reported structures.
Is Al4Fe4O20P4 a metal, semiconductor, or insulator?
With a band gap up to 0.52 eV it is a semiconductor.
Is Al4Fe4O20P4 thermodynamically stable?
Yes — Al4Fe4O20P4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al4Fe4O20P4?
The lowest-energy reported polymorph of Al4Fe4O20P4 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Al4Fe4O20P4?
The computed density of the ground-state structure of Al4Fe4O20P4 is 3.04 g/cm³.
How many polymorphs of Al4Fe4O20P4 are known?
3 structures of Al4Fe4O20P4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Al4Fe4O20P4 contain?
Al4Fe4O20P4 contains Al, Fe, O, and P (4 elements).
Where does the data for Al4Fe4O20P4 come from?
Al4Fe4O20P4 data is cross-referenced from materials_project, cod, aflow.
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Related Compounds
Other Transition-Metal Phosphates in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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