Al4Mo4O36P8

This inorganic compound is a complex phosphate containing aluminum and molybdenum. It is primarily studied in materials science for its structural properties and potential utility in catalytic or solid-state chemical research.

AlMoOP
Crystal structure of Al4Mo4O36P8 (tetragonal, P4/ncc (No. 130))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Al4Mo4O36P8, aggregated across 3 databases.

Band Gap

2.82 eV
Range across DFT structures

Energy Above Hull

0.008 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

4
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Al4Mo4O36P8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P4/ncc (No. 130)tetragonal2.820.0079-8.0983.05
P4/ncc (No. 130)
2.25
2.33
Uses

Applications

Where Al4Mo4O36P8 is used.

Catalysis researchSolid-state chemistryMaterials science development
Reference

Frequently Asked Questions

Common questions about Al4Mo4O36P8, answered from cross-validated data.

What is Al4Mo4O36P8?

This inorganic compound is a complex phosphate containing aluminum and molybdenum. It is primarily studied in materials science for its structural properties and potential utility in catalytic or solid-state chemical research.

More questions
What is Al4Mo4O36P8 used for?
Al4Mo4O36P8 is used in catalysis research, solid-state chemistry, and materials science development.
What is the band gap of Al4Mo4O36P8?
Al4Mo4O36P8 has a DFT-computed band gap of 2.82 eV across 4 reported structures.
Is Al4Mo4O36P8 a metal, semiconductor, or insulator?
With a band gap up to 2.82 eV it is a semiconductor.
Is Al4Mo4O36P8 thermodynamically stable?
Al4Mo4O36P8 has a lowest energy above hull of 0.008 eV/atom (near hull (likely stable)).
What is the crystal structure of Al4Mo4O36P8?
The lowest-energy reported polymorph of Al4Mo4O36P8 is tetragonal symmetry, space group P4/ncc (No. 130).
What is the density of Al4Mo4O36P8?
The computed density of the ground-state structure of Al4Mo4O36P8 is 3.05 g/cm³.
How many polymorphs of Al4Mo4O36P8 are known?
4 structures of Al4Mo4O36P8 are reported across 3 databases, spanning 1 distinct space group.
What elements does Al4Mo4O36P8 contain?
Al4Mo4O36P8 contains Al, Mo, O, and P (4 elements).
Where does the data for Al4Mo4O36P8 come from?
Al4Mo4O36P8 data is cross-referenced from materials_project, aflow, omat24.
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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