Mo4O30P8

Mo4O30P8 is a semiconducting molybdenum phosphate compound that is theoretically stable enough to be synthesized for experimental investigation.

MoOP
Crystal structure of Mo4O30P8 (monoclinic, Pc (No. 7))
Ground-state structure · Materials Project
Overview

About Mo4O30P8

Mo4O30P8 is a complex molybdenum phosphate compound that exhibits semiconducting electronic properties. Its structure suggests a nuanced arrangement of polyhedra that facilitates charge transport, making it an intriguing candidate for specialized electronic applications.

As a near-hull material, this compound is considered likely to be synthesizable under appropriate laboratory conditions. Its existence within a database of related structures highlights its potential role in the broader landscape of transition metal phosphates.

At a glance

Key Properties

Cross-validated computational properties for Mo4O30P8, aggregated across 3 databases.

Band Gap

2.67 eV
Range across DFT structures

Energy Above Hull

0.001 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

8
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Mo4O30P8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pc (No. 7)monoclinic2.670.0012-8.0282.98
P21 (No. 4)monoclinic0.000.8403-7.1892.68
No. 0unknown1.67
No. 0unknown1.66
No. 0unknown1.66
3.01
No. 0unknown1.67
3.01
Uses

Applications

Where Mo4O30P8 is used.

Electronic materials researchSolid-state chemistry studiesCatalysis development
Reference

Frequently Asked Questions

Common questions about Mo4O30P8, answered from cross-validated data.

What is Mo4O30P8?

Mo4O30P8 is a semiconducting molybdenum phosphate compound that is theoretically stable enough to be synthesized for experimental investigation.

More questions
What is Mo4O30P8 used for?
Mo4O30P8 is used in electronic materials research, solid-state chemistry studies, and catalysis development.
What is the band gap of Mo4O30P8?
Mo4O30P8 has a DFT-computed band gap of 2.67 eV across 8 reported structures.
Is Mo4O30P8 a metal, semiconductor, or insulator?
With a band gap up to 2.67 eV it is a semiconductor.
Is Mo4O30P8 thermodynamically stable?
Mo4O30P8 has a lowest energy above hull of 0.001 eV/atom (near hull (likely stable)).
What is the crystal structure of Mo4O30P8?
The lowest-energy reported polymorph of Mo4O30P8 is monoclinic symmetry, space group Pc (No. 7).
What is the density of Mo4O30P8?
The computed density of the ground-state structure of Mo4O30P8 is 2.98 g/cm³.
How many polymorphs of Mo4O30P8 are known?
8 structures of Mo4O30P8 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Mo4O30P8 contain?
Mo4O30P8 contains Mo, O, and P (3 elements).
Where does the data for Mo4O30P8 come from?
Mo4O30P8 data is cross-referenced from materials_project, cod, omat24.
Comparison

How It Compares

As a unique member of the molybdenum phosphate family, Mo4O30P8 serves as a distinct point of study for researchers exploring the relationship between structural complexity and electronic behavior in ternary oxide systems.

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).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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